SCHEMBL31214602

SCHEMBL31214602

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.57
▸ ECE1 P42892 5/20 0.55
▸ GHSR Q92847 6/20 0.55
▸ PRMT1 Q99873 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ KISS1R Q969F8 2/20 0.53
▸ IL1RN P18510 1/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.53
▸ NPBWR1 P48145 2/20 0.52

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
SCHEMBL31720495 0.93 ERAP2 (0.63) ERAP2ECE1GHSRNTSR2NTSR1
SCHEMBL31232500 0.90 ERAP2 (0.63) ERAP2ECE1GHSRNTSR2NTSR1
SCHEMBL31004373 0.88 ERAP2 (0.61) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL30544342 0.88 ERAP2 (0.61) ERAP2ECE1OPRM1OPRD1KISS1R
SCHEMBL29887063 0.87 OPRM1 (0.55) ERAP2GHSRPRMT1OPRM1OPRD1
SCHEMBL31013225 0.87 OPRM1 (0.55) ERAP2GHSRPRMT1OPRM1OPRD1
SCHEMBL31433307 0.87 NPBWR1 (0.58) PRMT1NPBWR1
SCHEMBL30051500 0.87 OPRM1 (0.61) ERAP2ECE1OPRM1OPRD1IL1RN
SCHEMBL31720527 0.87 ERAP2 (0.63) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL29676442 0.86 NPBWR1 (0.61) PRMT1NPBWR1

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-118994352-A Triazole modified cyclic peptide of amphibian-derived antibacterial peptide, and preparation method and application thereof 润辉生物技术(威海)有限公司 2024-11-22 — — CN disclosed
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