SCHEMBL31070023

SCHEMBL31070023

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.41
▸ FAP Q12884 2/20 0.38
▸ CALCRL Q16602 2/20 0.38
▸ APLNR P35414 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ PREP P48147 1/20 0.37

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
SCHEMBL30353946 0.91 ACE (0.41) FAPAPLNR
SCHEMBL29580081 0.90 POLB (0.39) FAPCALCRLDPP4
SCHEMBL31070022 0.88 APLNR (0.42) OPRM1FAPAPLNRDPP4PREP
SCHEMBL29689560 0.84 ACE (0.47) FAPDPP4PREP
SCHEMBL31544467 0.81 APLNR (0.40) OPRM1FAPAPLNROPRD1
SCHEMBL4959057 0.81 ACE (0.40) FAPAPLNR
SCHEMBL4726312 0.81 APLNR (0.40) OPRM1FAPAPLNROPRD1
SCHEMBL28890650 0.81 APLNR (0.40) OPRM1FAPAPLNROPRD1
SCHEMBL4726314 0.81 APLNR (0.40) OPRM1FAPAPLNROPRD1
SCHEMBL29464997 0.81 GRB2 (0.42) FAPCALCRLAPLNRDPP4PREP

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-116801857-B Hexapeptide derivative, composition and application thereof 深圳市维琪科技股份有限公司 2024-08-30 — — CN disclosed
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