SCHEMBL14458027

SCHEMBL14458027

O=C1c2cc(C3C=CC(Cl)=CC3)cn2CCN1c1ccc2c(cnn2CCN2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.47
▸ MCHR2 Q969V1 2/20 0.47
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL12531980 0.80 MCHR1 (0.64) MCHR1MCHR2CYP3A4CYP2C19
SCHEMBL12531976 0.73 MCHR1 (0.54) MCHR1MCHR2CYP3A4CYP2C19
SCHEMBL12545660 0.71 MCHR1 (0.54) MCHR1MCHR2CYP3A4CYP2C19
SCHEMBL12532102 0.65 MCHR1 (0.47) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL15508851 0.65 MCHR1 (0.60) MCHR1MCHR2CYP3A4KCNH2
SCHEMBL16980086 0.65 MCHR1 (0.57) MCHR1MCHR2CYP3A4KCNH2
SCHEMBL6069727 0.64 MCHR1 (1.00) MCHR1MCHR2CYP3A4KCNH2
SCHEMBL2073311 0.64 MCHR1 (0.58) MCHR1MCHR2CYP3A4CYP2C19
SCHEMBL538977 0.63 MCHR1 (0.53) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL10144435 0.62 MCHR1 (1.00) MCHR1CYP3A4CYP2C19KCNH2

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
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed
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