SCHEMBL31029901

SCHEMBL31029901

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.54
▸ KISS1R Q969F8 2/20 0.49
▸ C5AR1 P21730 1/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ MC5R P33032 1/20 0.46
▸ MC3R P41968 1/20 0.46
▸ MC1R Q01726 1/20 0.46

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
SCHEMBL30183179 0.90 CTSL (0.58) CXCR4KISS1RC5AR1CTSLCTSS
SCHEMBL31373855 0.89 C5AR1 (0.58) CXCR4KISS1RC5AR1MC4RMC5R
SCHEMBL31147129 0.88 CXCR4 (0.58) CXCR4KISS1RCAPN1CTSBCTSL
SCHEMBL30597309 0.88 DPP3 (0.57) CXCR4KISS1RC5AR1CTSLCTSS
SCHEMBL31190180 0.87 CXCR4 (0.60) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29546449 0.87 C5AR1 (0.56) CXCR4KISS1RC5AR1MC4RMC5R
SCHEMBL29833819 0.87 CXCR4 (0.52) CXCR4KISS1RC5AR1CTSLCTSS
SCHEMBL29833824 0.87 CXCR4 (0.52) CXCR4KISS1RC5AR1CTSLCTSS
SCHEMBL30317539 0.87 KISS1R (0.55) CXCR4KISS1RC5AR1CTSLCTSS
SCHEMBL30307184 0.86 CXCR4 (0.56) CXCR4KISS1RC5AR1CTSLCTSS

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
US-12054703-B2 Agricultural or horticultural composition containing culture broth of Bacillus bacterium AJINOMOTO CO., INC. (JP) 2024-08-06 — — US disclosed
Send feedback