SCHEMBL6820338

SCHEMBL6820338

CN1CCN(c2cccc3c2CC(NC(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.55
SCN9A Q15858 4/20 0.55
SCN5A Q14524 3/20 0.55
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
SLC6A5 Q9Y345 5/20 0.48
SRPK1 Q96SB4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD4 P21917 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7025761 1.00 KCNH2 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820334 1.00 KCNH2 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4788895 0.92 KCNH2 (0.49) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7030282 0.91 MEN1 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7031232 0.91 MEN1 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7019156 0.91 KCNH2 (0.54) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7029805 0.91 KCNH2 (0.54) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7023472 0.90 MTNR1A (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7030289 0.90 MTNR1A (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7030407 0.89 MTNR1A (0.54) KCNH2SCN9ASCN5AMTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US claimed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP claimed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO claimed
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 EP disclosed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 EP disclosed
US-6534652-B2 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2003-03-18 US disclosed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
EP-1000048-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6410532-B2 8-(PIPERIDIN-4-YL- OR PIPERAZIN-1-YL)-2-SUBSTITUTED-TETRALIN DERIVATIVES; SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXY-TRYPTAMINE RECEPTORS, H5-HT1B RECEPTORS (PREVIOUSLY 5-HT1D BETA); ANTAGONISTS; MOOD DISORDERS, ANTIANXIOLYTIC ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed
EP-1014985-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT 1B ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-05 EP disclosed
EP-1000048-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 EP disclosed
WO-1999013877-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 WO disclosed
WO-1999005134-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1999-02-04 WO disclosed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed