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SCHEMBL14889477

SCHEMBL14889477

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.66
▸ NMUR2 Q9GZQ4 2/20 0.58
▸ NMUR1 Q9HB89 2/20 0.58
▸ KEAP1 Q14145 1/20 0.58
▸ OPRM1 P35372 5/20 0.57
▸ MC4R P32245 1/20 0.57
▸ OPRK1 P41145 4/20 0.56

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
SCHEMBL14889478 1.00 OPRD1 (0.66) OPRD1NMUR2NMUR1KEAP1OPRM1
SCHEMBL28101268 1.00 OPRD1 (0.66) OPRD1NMUR2NMUR1KEAP1OPRM1
SCHEMBL30416476 0.94 OPRD1 (0.69) OPRD1NMUR2NMUR1KEAP1OPRM1
SCHEMBL29516648 0.91 OPRD1 (0.78) OPRD1NMUR2NMUR1OPRM1OPRK1
Analog Of Dynorphin A SCHEMBL27861937 0.89 OPRD1 (0.75) OPRD1NMUR2NMUR1OPRM1OPRK1
SCHEMBL11191224 0.89 OPRD1 (0.75) OPRD1NMUR2NMUR1OPRM1OPRK1
SCHEMBL30171303 0.88 OPRD1 (0.73) OPRD1NMUR2NMUR1OPRM1OPRK1
SCHEMBL29972993 0.87 NMUR2 (0.60) NMUR2NMUR1
SCHEMBL31325181 0.87 OPRD1 (0.71) OPRD1NMUR2NMUR1OPRM1
SCHEMBL30834921 0.87 NMUR2 (0.65) OPRD1NMUR2NMUR1KEAP1OPRM1

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-2420510-B1 Nicotinoyl peptide derivatives and cosmetic composition comprising the same BIO FD & C CO LTD (KR) 2013-05-01 — — EP disclosed
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