SCHEMBL7410969

SCHEMBL7410969

COc1c(C(=O)NC2CN3CCC2CC3)cc(Cl)c2c1CCCN2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.56
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
HTR5A P47898 1/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7411721 0.94 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7417493 0.90 HTR3A (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7408559 0.90 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7312459 0.87 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7330460 0.86 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7326360 0.86 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL10381396 0.85 HTR3A (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7404402 0.85 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7318004 0.82 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7411836 0.80 MAPK1 (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990006113-A1 SUBSTITUTED SATURATED AND UNSATURATED INDOLE QUINOLINE AND BENZAZEPINE CARBOXAMIDES AND THEIR USE AS PHARMACOLOGICAL AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1990-06-14 WO claimed
US-4920219-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US claimed
US-5063230-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-11-05 US disclosed
WO-1990006113-A1 SUBSTITUTED SATURATED AND UNSATURATED INDOLE QUINOLINE AND BENZAZEPINE CARBOXAMIDES AND THEIR USE AS PHARMACOLOGICAL AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1990-06-14 WO disclosed
US-4920219-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed