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SCHEMBL1746052

SCHEMBL1746052

CC(C)(C)[C@]1(c2nc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)OCc6ccccc6)[nH]5)c(F)c4)cc3F)c[nH]2)CCCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 12/20 0.42
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ AADAT Q8N5Z0 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ CPT1A P50416 1/20 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
SCHEMBL1747514 0.97 PRCP (0.45) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL1746051 0.85 PRCP (0.47) PRCPAADAT
SCHEMBL3343955 0.85 PRCP (0.47) PRCPOPRM1OPRD1AADATHCRTR1
SCHEMBL1745859 0.84 PRCP (0.41) PRCPHCRTR1HCRTR2
SCHEMBL1747512 0.82 PRCP (0.49) PRCPOPRM1OPRD1
SCHEMBL12174997 0.82 PRCP (0.53) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3347973 0.82 PRCP (0.52) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL12175268 0.81 PRCP (0.54) PRCPOPRM1OPRD1
SCHEMBL1747547 0.80 PRCP (0.45) PRCPOPRM1OPRD1
SCHEMBL13748216 0.80 PRCP (0.57) PRCPOPRM1OPRD1HCRTR1HCRTR2

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-2385048-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 — — EP disclosed
US-20110252687-A1 Canting Vertical Fore Grip with Bipod GRIP POD SYSTEMS, LLC 2011-10-20 — — US disclosed