SCHEMBL6820074

SCHEMBL6820074

Cc1ccc(N2CCN(C)CC2)c2c1OC[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
SCN9A Q15858 6/20 0.51
SCN5A Q14524 5/20 0.51
WDR5 P61964 3/20 0.38
MAPK14 Q16539 5/20 0.38
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
AR P10275 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35

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
SCHEMBL6820090 1.00 KCNH2 (0.51) KCNH2SCN9ASCN5AWDR5MAPK14
SCHEMBL6926137 0.90 KCNH2 (0.54) KCNH2SCN9ASCN5AMAPK14KMT2A
SCHEMBL6926134 0.90 KCNH2 (0.54) KCNH2SCN9ASCN5AMAPK14KMT2A
SCHEMBL4836383 0.83 SCN9A (0.71) KCNH2SCN9ASCN5AHTR1DHTR2A
SCHEMBL8072714 0.81 KCNH2 (0.49) KCNH2SCN9ASCN5AKMT2A
SCHEMBL7029728 0.75 MTNR1A (0.51) KCNH2SCN9ASCN5AARCYP1A2
SCHEMBL7031898 0.75 MTNR1A (0.51) KCNH2SCN9ASCN5AARCYP1A2
SCHEMBL6932612 0.75 KCNH2 (0.51) KCNH2SCN9ASCN5AWDR5KMT2A
SCHEMBL6932616 0.75 KCNH2 (0.51) KCNH2SCN9ASCN5AWDR5KMT2A
SCHEMBL8075533 0.74 SCN9A (0.71) KCNH2SCN9ASCN5AARHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1025096-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP claimed
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 claimed
US-6387899-B1 ANTISEROTONINE AGENTS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2002-05-14 US claimed
CN-1278809-A Substituted chroman derivatives ASTRA ZENECA AKTIEBOLAG (SE) 2001-01-03 CN claimed
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 claimed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US claimed
EP-1025096-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP claimed
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 claimed
WO-1999014213-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 WO claimed
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 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-1025096-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 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
EP-1021183-A1 A COMBINATION OF A SELECTIVE 5-HT 1A? ANTAGONIST AND A SELECTIVE h5-HT 1B? ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-26 EP 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
WO-1999013876-A1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 WO 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