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SCHEMBL19861606

SCHEMBL19861606

CC(C)c1nc(CN(C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCc2ccccc2)CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)cs1

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 20/20 0.94
▸ CYP2D6 P10635 6/20 0.94
▸ CYP2C9 P11712 4/20 0.79
▸ CYP1A2 P05177 2/20 0.79
▸ CYP2C19 P33261 2/20 0.79

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
SCHEMBL18937779 1.00 CYP3A4 (0.94) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2736224 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL22356526 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2736330 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2736095 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL19861711 0.93 CYP3A4 (0.94) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL18532032 0.93 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL19861607 0.92 CYP3A4 (0.86) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2736320 0.92 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2736093 0.92 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19

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-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 — — US disclosed