SCHEMBL31694408

SCHEMBL31694408

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.58
▸ OPRD1 P41143 6/20 0.57
▸ OPRM1 P35372 4/20 0.57
▸ ACE P12821 2/20 0.55
▸ CALCRL Q16602 2/20 0.54
▸ RAMP1 O60894 1/20 0.54
▸ SLC6A2 P23975 1/20 0.52
▸ OPRK1 P41145 1/20 0.51
▸ APLNR P35414 1/20 0.50

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
SCHEMBL30469507 0.97 F2 (0.56) F2OPRD1OPRM1ACECALCRL
SCHEMBL31756935 0.91 F2 (0.65) F2OPRD1OPRM1ACESLC6A2
Thymoctonan SCHEMBL15532000 0.90 REN (0.52) F2OPRD1OPRM1ACECALCRL
Thymoctonan SCHEMBL1230532 0.90 REN (0.52) F2OPRD1OPRM1ACECALCRL
SCHEMBL30259604 0.89 REN (0.53) F2OPRD1OPRM1ACECALCRL
SCHEMBL29579500 0.88 CALCRL (0.59) F2OPRD1OPRM1ACECALCRL
SCHEMBL31511422 0.87 APLNR (0.55) F2OPRD1OPRM1ACEAPLNR
SCHEMBL29666135 0.86 OPRK1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL31510132 0.86 F2 (0.60) F2OPRD1OPRM1ACESLC6A2
SCHEMBL29579276 0.86 CALCRL (0.52) F2OPRD1OPRM1CALCRLRAMP1

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
CN-116284239-B Preparation method of sturgeon ovary antioxidant peptide 江苏大学 2025-10-03 — — CN disclosed
Send feedback