Sugi Predict

Sugi Predict / Compounds / SCHEMBL8937023

SCHEMBL8937023

SCHEMBL8937023

NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=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 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.66
▸ OPRM1 P35372 5/20 0.66
▸ BDKRB2 P30411 1/20 0.53
▸ F2 P00734 1/20 0.51

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
SCHEMBL8937037 0.92 OPRD1 (0.66) OPRD1OPRM1BDKRB2
SCHEMBL30974116 0.87 OPRD1 (0.57) OPRD1OPRM1
SCHEMBL30832767 0.86 OPRD1 (0.57) OPRD1OPRM1F2
SCHEMBL30832772 0.86 OPRD1 (0.61) OPRD1OPRM1BDKRB2
SCHEMBL29645256 0.86 OPRM1 (0.68) OPRD1OPRM1
SCHEMBL30832769 0.85 OPRM1 (0.51) OPRD1OPRM1BDKRB2F2
SCHEMBL29630683 0.85 OPRM1 (0.71) OPRD1OPRM1F2
SCHEMBL30495628 0.85 OPRD1 (0.61) OPRD1OPRM1
SCHEMBL30512664 0.84 OPRD1 (0.62) OPRD1OPRM1
SCHEMBL6519107 0.84 OPRD1 (0.57) OPRD1OPRM1BDKRB2F2

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