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Sugi Predict / Compounds / SCHEMBL8937037

SCHEMBL8937037

SCHEMBL8937037

NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.66
▸ OPRM1 P35372 5/20 0.66
▸ BDKRB2 P30411 1/20 0.53

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
SCHEMBL8937023 0.92 OPRD1 (0.66) OPRD1OPRM1BDKRB2
SCHEMBL29630683 0.86 OPRM1 (0.71) OPRD1OPRM1
SCHEMBL30974116 0.83 OPRD1 (0.57) OPRD1OPRM1
SCHEMBL29656374 0.83 ACE (0.47) OPRD1OPRM1BDKRB2
SCHEMBL29569996 0.83 OPRM1 (0.75) OPRD1OPRM1
SCHEMBL29462069 0.83 OPRD1 (0.65) OPRD1OPRM1
SCHEMBL30232040 0.82 OPRM1 (0.65) OPRD1OPRM1
SCHEMBL30102196 0.82 OPRM1 (0.58) OPRD1OPRM1
SCHEMBL31167614 0.81 OPRM1 (0.75) OPRD1OPRM1
SCHEMBL7759033 0.81 OPRM1 (0.57) OPRD1OPRM1

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
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 — — EP claimed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 — — EP claimed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 — — WO claimed