SCHEMBL31328348

SCHEMBL31328348

N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.43
FURIN P09958 1/20 0.43
KRAS P01116 2/20 0.42
ANPEP P15144 2/20 0.42
LNPEP Q9UIQ6 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ITGA2B P08514 2/20 0.41
ITGB5 P18084 2/20 0.41
ITGB6 P18564 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MC4R P32245 5/20 0.40
MC5R P33032 5/20 0.40
MC3R P41968 5/20 0.40
MC1R Q01726 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL29568658 0.94 GHSR (0.42) TPSAB1FURINKRASANPEPLNPEP
SCHEMBL29568807 0.94 GHSR (0.42) TPSAB1FURINKRASANPEPLNPEP
SCHEMBL29569694 0.94 GHSR (0.42) TPSAB1FURINKRASANPEPLNPEP
SCHEMBL12794626 0.94 KRAS (0.48) TPSAB1FURINKRASANPEPLNPEP
SCHEMBL29925329 0.93 FURIN (0.43) TPSAB1FURINKRASMC4RMC5R
SCHEMBL29924950 0.93 FURIN (0.43) TPSAB1FURINKRASMC4RMC5R
SCHEMBL29925268 0.93 FURIN (0.43) TPSAB1FURINKRASMC4RMC5R
SCHEMBL31328349 0.88 CXCR4 (0.46) TPSAB1KRASANPEPLNPEPCXCR4
SCHEMBL31479909 0.88 HSP90AB1 (0.45) KRASITGB3ITGAVITGA2BITGB5
SCHEMBL27423920 0.87 MC4R (0.48) ITGB3ITGAVITGA2BITGB5MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024262349-A1 COMPOSITION FOR SUPPRESSING OR AMELIORATING DETERIORATION OF COGNITIVE FUNCTION, AND COMPOSITION FOR INHIBITING β-SECRETASE サントリーホールディングス株式会社 2024-12-26 WO claimed
WO-2024262349-A1 COMPOSITION FOR SUPPRESSING OR AMELIORATING DETERIORATION OF COGNITIVE FUNCTION, AND COMPOSITION FOR INHIBITING β-SECRETASE サントリーホールディングス株式会社 2024-12-26 WO disclosed
WO-2024262349-A1 COMPOSITION FOR SUPPRESSING OR AMELIORATING DETERIORATION OF COGNITIVE FUNCTION, AND COMPOSITION FOR INHIBITING β-SECRETASE サントリーホールディングス株式会社 2024-12-26 WO disclosed