SCHEMBL1029686

SCHEMBL1029686

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)N1CC(Cc2ccc(Br)cc2)C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.51
▸ OPRM1 P35372 6/20 0.51
▸ OPRK1 P41145 6/20 0.51
▸ APLNR P35414 4/20 0.50
▸ CXCR4 P61073 1/20 0.48
▸ C5AR1 P21730 1/20 0.47
▸ KDM1A O60341 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
SCHEMBL4303904 0.95 OPRM1 (0.54) MC4ROPRM1OPRK1APLNRCXCR4
SCHEMBL197800 0.94 APLNR (0.49) MC4ROPRM1OPRK1APLNRC5AR1
SCHEMBL4301705 0.89 MC4R (0.52) MC4ROPRM1OPRK1APLNRCXCR4
SCHEMBL4807584 0.88 APLNR (0.56) MC4ROPRM1OPRK1APLNRCXCR4
SCHEMBL4807604 0.88 APLNR (0.56) MC4ROPRM1OPRK1APLNRCXCR4
SCHEMBL4804787 0.86 APLNR (0.55) OPRM1OPRK1APLNRCXCR4
SCHEMBL4804770 0.86 APLNR (0.55) OPRM1OPRK1APLNRCXCR4
SCHEMBL1029282 0.85 OPRM1 (0.52) MC4ROPRM1OPRK1APLNRCXCR4
SCHEMBL1028505 0.84 OPRM1 (0.56) MC4ROPRM1OPRK1APLNRCXCR4
SCHEMBL1030624 0.84 OPRM1 (0.55) MC4ROPRM1OPRK1APLNRCXCR4

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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