SCHEMBL1028425

SCHEMBL1028425

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC(OC(C)(C)C)[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.51
▸ OPRK1 P41145 6/20 0.51
▸ APLNR P35414 3/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSK P43235 2/20 0.46
▸ CTSH P09668 1/20 0.46
▸ NTSR1 P30989 1/20 0.46

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
SCHEMBL191933 0.94 APLNR (0.49) OPRM1OPRK1APLNRMC4RCTSL
SCHEMBL1028505 0.93 OPRM1 (0.56) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL1030624 0.91 OPRM1 (0.55) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL1028619 0.90 OPRM1 (0.54) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL4807604 0.89 APLNR (0.56) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL4807584 0.89 APLNR (0.56) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL1029282 0.89 OPRM1 (0.52) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL4301705 0.88 MC4R (0.52) OPRM1OPRK1APLNRCXCR4MC4R
SCHEMBL4804770 0.87 APLNR (0.55) OPRM1OPRK1APLNRCXCR4CTSL
SCHEMBL4804787 0.87 APLNR (0.55) OPRM1OPRK1APLNRCXCR4CTSL

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
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 — — EP disclosed
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