SCHEMBL8917878

SCHEMBL8917878

CC(=O)N1CCc2cc(C(=O)CCCCl)sc2C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.62
HDAC6 Q9UBN7 4/20 0.46
NOTUM Q6P988 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
BPTF Q12830 1/20 0.35
GRM5 P41594 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
WDR91 A4D1P6 1/20 0.34

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
SCHEMBL8917714 0.93 MCHR1 (0.55) MCHR1HDAC6HRH3ALDH1A1USP2
SCHEMBL8917672 0.90 MCHR1 (0.62) MCHR1HDAC6NOTUMHRH3
SCHEMBL8917193 0.80 MCHR1 (0.48) MCHR1HDAC6ALDH1A1USP2HPGD
SCHEMBL8918025 0.77 HTR1A (0.43) MCHR1HDAC6NOTUMHRH3ALDH1A1
SCHEMBL8915820 0.74 ALDH1A1 (0.46) MCHR1ALDH1A1HPGDBPTFL3MBTL1
SCHEMBL8917039 0.73 NOTUM (0.50) MCHR1HDAC6NOTUMHRH3ALDH1A1
SCHEMBL8916102 0.72 MCHR1 (0.37) MCHR1NOTUMALDH1A1HPGDBPTF
SCHEMBL5432297 0.71 MCHR1 (0.62) MCHR1HRH3
SCHEMBL4858086 0.71 MCHR1 (0.61) MCHR1NOTUMHRH3
SCHEMBL8918612 0.70 HTR1A (0.40) MCHR1HDAC6NOTUMHRH3ALDH1A1

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
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed