SCHEMBL10706257

SCHEMBL10706257

COc1cc(Cl)c(C#N)cc1C(=O)NCCNC(C)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.48
▸ TNKS2 Q9H2K2 1/20 0.48
▸ HTR4 Q13639 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR3A P46098 1/20 0.39

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
SCHEMBL10704054 0.87 WNT3A (0.52) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10657794 0.87 WNT3A (0.49) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10706251 0.83 WNT3A (0.41) WNT3ATNKS2LMNAALDH1A1GAA
SCHEMBL10653815 0.83 WNT3A (0.48) WNT3ATNKS2LMNARAB9ACFTR
SCHEMBL10656139 0.80 WNT3A (0.50) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10709530 0.80 WNT3A (0.46) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10706254 0.80 WNT3A (0.48) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10658698 0.79 WNT3A (0.55) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10712250 0.79 WNT3A (0.55) WNT3ATNKS2HTR4LMNAALDH1A1
SCHEMBL10704073 0.79 WNT3A (0.47) WNT3ATNKS2HTR4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183190-B1 BENZAMIDES AND SALTS CIBA-GEIGY AG (CH) 1988-12-28 — — EP claimed
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