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SCHEMBL17066337

SCHEMBL17066337

COC(=O)N[C@H](C(=O)N1C2CCC(C2)[C@H]1c1nc(-c2ccc3c(c2)Cc2cc(-c4c[nH]c([C@@H]5C6CCC(C6)N5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc2-3)c[nH]1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ NR1I2 O75469 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36

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
SCHEMBL17066336 0.92 CYP3A4 (0.44) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066300 0.92 CYP3A4 (0.45) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066342 0.89 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066339 0.88 CYP3A4 (0.43) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL889343 0.88 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL14123057 0.86 CYP3A4 (0.37) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL12436783 0.86 CYP3A4 (0.38) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL18626901 0.86 CYP3A4 (0.37) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16203084 0.85 CYP3A4 (0.34) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL18626997 0.85 CYP3A4 (0.34) CYP3A4CYP2C9NR1I2KCNH2ABCB11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed