SCHEMBL1030624

SCHEMBL1030624

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(OCc2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.55
▸ OPRK1 P41145 10/20 0.55
▸ MC4R P32245 1/20 0.53
▸ APLNR P35414 2/20 0.52
▸ CXCR4 P61073 1/20 0.50
▸ TFPI P10646 4/20 0.49
▸ C5AR1 P21730 1/20 0.48

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
SCHEMBL197807 0.94 OPRM1 (0.53) OPRM1OPRK1MC4RAPLNRC5AR1
SCHEMBL1028505 0.94 OPRM1 (0.56) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL1028619 0.91 OPRM1 (0.54) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL1028425 0.91 OPRM1 (0.51) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL1029282 0.91 OPRM1 (0.52) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL4303904 0.88 OPRM1 (0.54) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL197746 0.88 OPRM1 (0.54) OPRM1OPRK1MC4RAPLNRC5AR1
SCHEMBL4807604 0.88 APLNR (0.56) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL4807584 0.88 APLNR (0.56) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL4301705 0.86 MC4R (0.52) OPRM1OPRK1MC4RAPLNRCXCR4

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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