SCHEMBL31467779

SCHEMBL31467779

C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.65
OPRD1 P41143 2/20 0.65
GHSR Q92847 5/20 0.62
ECE1 P42892 3/20 0.60
KISS1R Q969F8 1/20 0.56

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
SCHEMBL29966936 0.97 GHSR (0.67) OPRM1OPRD1GHSRECE1
SCHEMBL31722484 0.94 KDM4E (0.62) ECE1
SCHEMBL30052393 0.93 OPRM1 (0.66) OPRM1OPRD1GHSRECE1
Hydrochloric Acid SCHEMBL8982603 0.93 KDM4E (0.60) GHSRECE1
SCHEMBL29966716 0.91 OPRM1 (0.72) OPRM1OPRD1KISS1R
SCHEMBL13725698 0.90 ECE1 (0.64) ECE1
SCHEMBL22133113 0.90 ECE1 (0.64) ECE1
SCHEMBL30799684 0.90 ECE1 (0.64) ECE1
SCHEMBL29351069 0.89 OPRM1 (0.66) OPRM1OPRD1GHSRECE1
SCHEMBL29636478 0.89 ACE (0.67) OPRM1OPRD1ECE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042940-A1 14-3-3 TARGETING PEPTIDES FOR CANCER TREATMENT CREIGHTON UNIV (US) 2025-02-06 US disclosed
US-20250042940-A1 14-3-3 TARGETING PEPTIDES FOR CANCER TREATMENT CREIGHTON UNIV (US) 2025-02-06 US disclosed