SCHEMBL10706254

SCHEMBL10706254

COc1cc(Cl)c(C#N)cc1C(=O)NCCN(C(C)C)C(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
▸ ADRA2A P08913 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ HTR3E A5X5Y0 1/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MPO P05164 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR3A P46098 1/20 0.45

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
Hydrochloric Acid SCHEMBL10707023 0.99 WNT3A (0.47) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10656142 0.87 WNT3A (0.51) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10658307 0.87 WNT3A (0.51) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10657789 0.84 ADRA2A (0.51) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10704054 0.83 WNT3A (0.52) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10654942 0.82 ADRA2A (0.67) WNT3ATNKS2ADRA2ACYP2D6DRD3
Hydrochloric Acid SCHEMBL10656331 0.81 RAB9A (0.67) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10706257 0.80 WNT3A (0.48) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10658698 0.79 WNT3A (0.55) WNT3ATNKS2ADRA2ACYP2D6DRD3
SCHEMBL10712250 0.79 WNT3A (0.55) WNT3ATNKS2ADRA2ACYP2D6DRD3

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 2 patents. 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
EP-0183190-A1 Benzamides and salts CIBA-GEIGY AG (CH) 1986-06-04 — — EP claimed
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