SCHEMBL17210467

SCHEMBL17210467

CC(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.46
▸ OPRK1 P41145 11/20 0.46
▸ CXCR4 P61073 1/20 0.43
▸ APLNR P35414 1/20 0.42

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
SCHEMBL17210500 1.00 OPRM1 (0.46) OPRM1OPRK1CXCR4APLNR
SCHEMBL30471913 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4APLNR
SCHEMBL1247795 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4
SCHEMBL12899263 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4
SCHEMBL17210470 0.93 OPRM1 (0.49) OPRM1OPRK1CXCR4APLNR
SCHEMBL7263725 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4
SCHEMBL1247799 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4
SCHEMBL194515 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4
SCHEMBL21043608 0.93 OPRM1 (0.48) OPRM1OPRK1CXCR4
SCHEMBL12261069 0.90 GRB2 (0.50) OPRM1OPRK1CXCR4

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
WO-2015164289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2015-10-29 — — WO disclosed
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