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SCHEMBL18715664

SCHEMBL18715664

CC(C)COC[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)N[C@@H](C)CC[C@H](C)NC(=O)OCc1cncs1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 20/20 0.78
▸ CYP2D6 P10635 5/20 0.64
▸ CYP2C9 P11712 3/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL18715748 0.91 CYP3A4 (0.79) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL18532054 0.91 CYP3A4 (0.79) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736086 0.89 CYP3A4 (0.80) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2736071 0.89 CYP3A4 (0.80) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16802985 0.89 CYP3A4 (0.79) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12301577 0.88 CYP3A4 (0.78) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2736083 0.88 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736285 0.88 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL18893346 0.88 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL18532039 0.87 CYP3A4 (0.84) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2

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
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 — — EP disclosed
EP-3150586-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2017-04-05 — — EP disclosed