SCHEMBL6653055

SCHEMBL6653055

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=S)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.49
▸ OPRD1 P41143 2/20 0.48
▸ STAT3 P40763 1/20 0.45

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
SCHEMBL4315756 0.88 OPRM1 (0.50) OPRM1OPRD1
SCHEMBL4315754 0.88 OPRM1 (0.50) OPRM1OPRD1
SCHEMBL21067778 0.88 OPRM1 (0.50) OPRM1OPRD1
SCHEMBL21581733 0.80 OPRM1 (0.53) OPRM1OPRD1
SCHEMBL30431027 0.80 OPRM1 (0.61) OPRM1OPRD1
SCHEMBL21581706 0.79 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL13563448 0.77 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL29037548 0.77 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL13563441 0.77 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL31347655 0.77 OPRM1 (0.66) OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002038796-A9 METHODS FOR DETERMINING PROTEASE CLEAVAGE SITE MOTIFS BETH ISRAEL HOSPITAL (US) 2004-04-29 — — WO claimed
WO-2002038796-A2 METHODS FOR DETERMINING PROTEASE CLEAVAGE SITE MOTIFS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2002-05-16 — — WO claimed
WO-2002038796-A9 METHODS FOR DETERMINING PROTEASE CLEAVAGE SITE MOTIFS BETH ISRAEL HOSPITAL (US) 2004-04-29 — — WO disclosed
WO-2002038796-A2 METHODS FOR DETERMINING PROTEASE CLEAVAGE SITE MOTIFS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2002-05-16 — — WO disclosed
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