SCHEMBL10712250

SCHEMBL10712250

COc1cc(Cl)c(C#N)cc1C(=O)NCCBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.55
▸ TNKS2 Q9H2K2 1/20 0.55
▸ HTR4 Q13639 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MPO P05164 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HTR3A P46098 1/20 0.47

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
SCHEMBL10658698 0.88 WNT3A (0.55) WNT3ATNKS2HTR4LMNACYP1A2
SCHEMBL10654942 0.86 ADRA2A (0.67) WNT3ATNKS2HTR4LMNACYP1A2
Hydrochloric Acid SCHEMBL10656331 0.85 RAB9A (0.67) WNT3ATNKS2HTR4LMNACYP1A2
SCHEMBL10704060 0.84 WNT3A (0.52) WNT3ATNKS2HTR4LMNACYP1A2
Hydrochloric Acid SCHEMBL10657811 0.84 WNT3A (0.52) WNT3ATNKS2HTR4LMNACYP1A2
SCHEMBL10704054 0.84 WNT3A (0.52) WNT3ATNKS2HTR4LMNACYP1A2
SCHEMBL10658307 0.82 WNT3A (0.51) WNT3ATNKS2HTR4LMNACYP1A2
SCHEMBL10656142 0.82 WNT3A (0.51) WNT3ATNKS2HTR4LMNACYP1A2
SCHEMBL10712597 0.82 CYP1A2 (0.54) HTR4LMNACYP1A2ADRA2ACYP2D6
SCHEMBL10656139 0.82 WNT3A (0.50) WNT3ATNKS2HTR4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 — — EP disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 — — US disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 — — EP disclosed
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