SCHEMBL10653817

SCHEMBL10653817

COc1cc(Cl)c(C#N)cc1C(=O)NCCNCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NLRP1 Q9C000 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL10704060 0.83 WNT3A (0.52) WNT3ATNKS2NPC1RAB9APOLB
SCHEMBL10653820 0.83 MEN1 (0.44) WNT3ATNKS2NPC1RAB9APOLB
SCHEMBL10653815 0.82 WNT3A (0.48) WNT3ATNKS2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10657811 0.81 WNT3A (0.52) WNT3ATNKS2RAB9APOLBHPGD
SCHEMBL10658698 0.78 WNT3A (0.55) WNT3ATNKS2RAB9AALDH1A1L3MBTL1
SCHEMBL10712250 0.78 WNT3A (0.55) WNT3ATNKS2RAB9AHPGDALDH1A1
SCHEMBL10704054 0.77 WNT3A (0.52) WNT3ATNKS2RAB9AALDH1A1L3MBTL1
SCHEMBL10656139 0.74 WNT3A (0.50) WNT3ATNKS2RAB9APOLBSMN1; SMN2
SCHEMBL10654942 0.74 ADRA2A (0.67) WNT3ATNKS2RAB9AALDH1A1TSHR
Hydrochloric Acid SCHEMBL10656331 0.73 RAB9A (0.67) WNT3ATNKS2RAB9AALDH1A1TSHR

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-0183190-B1 BENZAMIDES AND SALTS CIBA-GEIGY AG (CH) 1988-12-28 — — EP disclosed
US-4772630-A ANTIDEPRESSANTS, ANTISCHIZOPHRENIA CIBA-GEIGY CORP. (US) 1988-09-20 — — US disclosed
EP-0183190-A1 Benzamides and salts CIBA-GEIGY AG (CH) 1986-06-04 — — EP disclosed
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