SCHEMBL9291065

SCHEMBL9291065

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(N)Cc1c[nH]cn1)C(=O)NC(CS)C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ F2 P00734 4/20 0.51
▸ MC4R P32245 1/20 0.50
▸ REN P00797 1/20 0.49
▸ CALCR P30988 4/20 0.49
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL9291070 1.00 APLNR (0.54) APLNRNMUR2NMUR1F2MC4R
SCHEMBL30272525 0.91 F2 (0.56) NMUR2NMUR1F2MC4RREN
SCHEMBL30272526 0.90 F2 (0.58) NMUR2NMUR1F2MC4RREN
SCHEMBL29878778 0.90 F2 (0.55) APLNRNMUR2NMUR1F2MC4R
SCHEMBL29390515 0.86 OPRM1 (0.52) F2RENOPRM1OPRD1OPRK1
SCHEMBL6516908 0.86 REN (0.58) RENOPRM1OPRD1OPRK1
SCHEMBL29525618 0.86 REN (0.58) RENOPRM1OPRD1OPRK1
SCHEMBL30422302 0.86 F2 (0.53) APLNRNMUR2NMUR1F2REN
SCHEMBL31384593 0.85 OPRK1 (0.56) RENOPRK1
SCHEMBL30272450 0.83 F2 (0.46) NMUR2F2MC4RCALCROPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5367064-A α-1-antichymotrypsin, analogues and methods of production THE TRUSTEES OF THE UNIVERSITY OF PENNYLSVANIA (US) 1994-11-22 — — US disclosed
US-5252725-A α-1-antichymotrypsin, analogues and methods of production THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-10-12 — — US disclosed
US-5079336-A α-1-antichymotrypsin, analogues and methods of production THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1992-01-07 — — US disclosed
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