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SCHEMBL17340641

SCHEMBL17340641

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N[C@H]4CCCC4C(N)=O)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.47
▸ CYP2C8 P10632 5/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ NR1I2 O75469 1/20 0.44
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ FAAH O00519 1/20 0.38

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
SCHEMBL10241973 1.00 CYP3A4 (0.47) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL13457679 0.93 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2NR1I2FAAH
SCHEMBL10240173 0.87 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2FAAH
SCHEMBL10242040 0.85 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2FAAH
SCHEMBL10240293 0.85 CYP3A4 (0.53) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL10240158 0.85 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2FAAH
SCHEMBL10240161 0.85 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2FAAH
SCHEMBL1918586 0.84 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL10280745 0.84 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL1918585 0.84 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2NR1I2CYP2C9

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-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 — — EP disclosed