SCHEMBL8896882

SCHEMBL8896882

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.47
OPRK1 P41145 14/20 0.47
APLNR P35414 1/20 0.43
EPHA2 P29317 2/20 0.40
CXCR4 P61073 1/20 0.40
F2 P00734 1/20 0.38

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
SCHEMBL7785528 0.92 OPRM1 (0.45) OPRM1OPRK1APLNREPHA2CXCR4
SCHEMBL7789919 0.91 OPRM1 (0.43) OPRM1OPRK1APLNREPHA2
SCHEMBL7780969 0.91 CAPN1 (0.43) OPRM1OPRK1APLNR
SCHEMBL7785514 0.90 EPHA2 (0.46) OPRM1OPRK1APLNREPHA2CXCR4
SCHEMBL7789924 0.83 OPRM1 (0.48) OPRM1OPRK1EPHA2CXCR4F2
SCHEMBL29571998 0.82 OPRM1 (0.48) OPRM1OPRK1APLNREPHA2
SCHEMBL29802094 0.82 OPRM1 (0.45) OPRM1OPRK1EPHA2F2
SCHEMBL22872708 0.81 NRP1 (0.54) OPRM1OPRK1EPHA2F2
SCHEMBL29451974 0.81 OPRM1 (0.52) OPRM1OPRK1APLNRF2
SCHEMBL22300346 0.81 OPRM1 (0.51) OPRM1OPRK1APLNR

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-5639729-A NERVOUS SYSTEM DISORDERS IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1997-06-17 US disclosed