SCHEMBL30566367

SCHEMBL30566367

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.59
C5AR1 P21730 1/20 0.57
CTSL P07711 3/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
CTSH P09668 1/20 0.56
MC4R P32245 2/20 0.54
MC5R P33032 2/20 0.54
MC3R P41968 2/20 0.54
MC1R Q01726 2/20 0.54
CCKBR P32239 1/20 0.52
BDKRB2 P30411 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
SCHEMBL30566365 0.95 CXCR4 (0.58) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30974438 0.93 CXCR4 (0.58) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31190180 0.89 CXCR4 (0.60) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30974073 0.89 CXCR4 (0.61) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29498142 0.88 CTSL (0.55) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29845535 0.88 CXCR4 (0.60) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29556709 0.87 C5AR1 (0.61) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30512640 0.87 CXCR4 (0.69) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30974222 0.87 CXCR4 (0.65) CXCR4C5AR1MC4RMC5RMC3R
SCHEMBL29555997 0.87 C5AR1 (0.60) C5AR1MC4RMC5RMC3RMC1R

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
CN-116715725-A Walnut antioxidation polypeptide and preparation method and application thereof 合肥工业大学 2023-09-08 CN disclosed
CN-116715725-A Walnut antioxidation polypeptide and preparation method and application thereof 合肥工业大学 2023-09-08 CN disclosed