SCHEMBL3139962

SCHEMBL3139962

Cn1nc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)cc1CN1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ OPRL1 P41146 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CNR1 P21554 4/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32

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 SCHEMBL1338816 1.00 MCHR1 (0.37) MCHR1CYP3A4CYP2C19OPRL1NPY1R
SCHEMBL3260114 0.93 ALPL (0.36) MCHR1CYP3A4CYP2C19KCNH2CHRNA7
Hydrochloric Acid SCHEMBL1339640 0.93 ALPL (0.36) MCHR1CYP3A4CYP2C19KCNH2CHRNA7
SCHEMBL3140076 0.92 MOK (0.38) KCNH2CNR1CNR2
Hydrochloric Acid SCHEMBL1340198 0.92 MOK (0.38) KCNH2CNR1CNR2
SCHEMBL4762585 0.88 DCTPP1 (0.36) MCHR1NPY1RCNR1CNR2SIGMAR1
SCHEMBL1338233 0.87 GABRA1 (0.37) OPRL1KCNH2CNR1CNR2SIGMAR1
SCHEMBL1339358 0.86 CNR1 (0.38) OPRL1CNR1CNR2SIGMAR1
SCHEMBL1337046 0.84 GABRG2 (0.42) KCNH2CNR1CNR2
SCHEMBL1339487 0.82 MCHR1 (0.41) MCHR1CYP3A4CYP2C19OPRM1OPRK1

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-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
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