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SCHEMBL19334149

SCHEMBL19334149

CCCN(Cc1nc(C(F)(F)F)c(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](C)NC(=O)OC)[nH]4)cc3)cc2)[nH]1)C(=O)[C@H](C)NC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.59
▸ CYP2C9 P11712 5/20 0.59
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ KCNH2 Q12809 2/20 0.58
▸ NR1I2 O75469 2/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ PRCP P42785 8/20 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
SCHEMBL19578437 0.95 CYP3A4 (0.55) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19334167 0.95 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19578436 0.92 KCNH2 (0.54) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19334150 0.92 CYP3A4 (0.68) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19334084 0.91 CYP3A4 (0.57) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19334087 0.90 CYP3A4 (0.61) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19578317 0.90 KCNH2 (0.52) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19334142 0.89 KCNH2 (0.58) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19578446 0.88 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL19334245 0.87 CYP3A4 (0.61) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2

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
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed