SCHEMBL12838195

SCHEMBL12838195

COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCC(C)(C)O

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 18/20 0.84
▸ CHRM4 P08173 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ CHRM5 P08912 1/20 0.73
▸ ADRA2A P08913 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ CHRM3 P20309 1/20 0.73
▸ ADRA1D P25100 1/20 0.73
▸ HTR1D P28221 1/20 0.73
▸ HTR2C P28335 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ DRD3 P35462 1/20 0.73
▸ HTR2B P41595 1/20 0.73
▸ HTR5A P47898 1/20 0.73
▸ KCNH2 Q12809 1/20 0.73
▸ TMEM97 Q5BJF2 1/20 0.73
▸ SIGMAR1 Q99720 1/20 0.73
▸ HRH3 Q9Y5N1 1/20 0.73

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
SCHEMBL1531323 0.91 MCHR1 (1.00) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL12838238 0.89 MCHR1 (0.78) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13736602 0.89 MCHR1 (0.77) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1531311 0.89 MCHR1 (0.79) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1579148 0.88 MCHR1 (0.81) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL4832825 0.88 MCHR1 (0.75) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL12838271 0.88 MCHR1 (0.76) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL5257801 0.88 MCHR1 (0.76) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13580079 0.87 MCHR1 (0.75) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL14525947 0.87 MCHR1 (0.85) MCHR1CHRM4CYP3A4CHRM5ADRA2A

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-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 — — EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 — — EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
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