SCHEMBL18156023

SCHEMBL18156023

COC(=O)[C@@]12C[C@H]1/C=C\CCC(C)C[C@@H](C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34

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
SCHEMBL18155974 0.85 CYP3A4 (0.37) CYP3A4
SCHEMBL18155972 0.84 CYP3A4 (0.45) CYP3A4
SCHEMBL15685815 0.84 CYP3A4 (0.45) CYP3A4
SCHEMBL15685794 0.82 CYP3A4 (0.41) CYP3A4
SCHEMBL13829957 0.82 CYP3A4 (0.43) CYP3A4
SCHEMBL14914521 0.82 CYP3A4 (0.43) CYP3A4
SCHEMBL7925281 0.80 ADRB3 (0.33) —
SCHEMBL13830431 0.78 GAA (0.32) CYP3A4
SCHEMBL18156074 0.76 ALOX15 (0.31) —
SCHEMBL14377836 0.76 ADRB3 (0.41) —

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-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 — — EP disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
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