SCHEMBL7030362

SCHEMBL7030362

CCc1ccc(C(=O)NC2CCc3cccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
SCN9A Q15858 4/20 0.52
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
TAOK1 Q7L7X3 1/20 0.51
SCN5A Q14524 3/20 0.51
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL7029157 1.00 KCNH2 (0.52) KCNH2SCN9AMTNR1AMTNR1BTAOK1
SCHEMBL7020774 0.97 TAOK1 (0.55) KCNH2SCN9AMTNR1AMTNR1BTAOK1
SCHEMBL7020766 0.97 TAOK1 (0.55) KCNH2SCN9AMTNR1AMTNR1BTAOK1
SCHEMBL7032003 0.90 MTNR1A (0.54) KCNH2SCN9AMTNR1AMTNR1BTAOK1
SCHEMBL7032007 0.90 MTNR1A (0.54) KCNH2SCN9AMTNR1AMTNR1BTAOK1
SCHEMBL7030412 0.89 MTNR1A (0.54) KCNH2SCN9AMTNR1AMTNR1BSCN5A
SCHEMBL7030407 0.89 MTNR1A (0.54) KCNH2SCN9AMTNR1AMTNR1BSCN5A
SCHEMBL7027929 0.88 MTNR1A (0.65) KCNH2SCN9AMTNR1AMTNR1BSCN5A
SCHEMBL7027930 0.88 MTNR1A (0.65) KCNH2SCN9AMTNR1AMTNR1BSCN5A
SCHEMBL7026015 0.88 MTNR1A (0.53) KCNH2SCN9AMTNR1AMTNR1BSCN5A

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 7 patents. 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-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed