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SCHEMBL1759640

SCHEMBL1759640

COC(=O)NC(C(=O)N1CCCC1c1nc2cc(-c3ccc4cc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@H](C(C)C)N(C)C(=O)O)n5)ccc4c3)ccc2[nH]1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ NR1I2 O75469 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL1293705 1.00 CYP3A4 (0.51) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293707 1.00 CYP3A4 (0.51) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293909 0.99 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293190 0.98 CYP3A4 (0.51) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293188 0.98 CYP3A4 (0.51) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1759427 0.97 CYP3A4 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293612 0.97 CYP3A4 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293615 0.97 CYP3A4 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL3057475 0.97 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL3056359 0.97 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed