SCHEMBL8355654

SCHEMBL8355654

COc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)N2CCN(OC(C)=O)C(=O)C2CCCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
HDAC8 Q9BY41 1/20 0.44
DPP4 P27487 3/20 0.44
DPP8 Q6V1X1 3/20 0.44
DPP7 Q9UHL4 1/20 0.44
P2RX7 Q99572 3/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
MC4R P32245 1/20 0.42
MC3R P41968 1/20 0.42
MC1R Q01726 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL7295570 0.87 ITGB3 (0.47) ITGB3ITGA2BHDAC8DPP4DPP8
SCHEMBL7295577 0.87 ITGB3 (0.47) ITGB3ITGA2BHDAC8DPP4DPP8
SCHEMBL7295572 0.87 ITGB3 (0.47) ITGB3ITGA2BHDAC8DPP4DPP8
SCHEMBL8548212 0.80 ITGB3 (0.50) ITGB3ITGA2BDPP4DPP8DPP7
SCHEMBL8548220 0.80 ITGB3 (0.50) ITGB3ITGA2BDPP4DPP8DPP7
SCHEMBL7287954 0.79 ITGB3 (0.43) ITGB3ITGA2BHDAC8P2RX7CTSL
SCHEMBL7287967 0.79 ITGB3 (0.43) ITGB3ITGA2BHDAC8P2RX7CTSL
SCHEMBL7287962 0.79 ITGB3 (0.43) ITGB3ITGA2BHDAC8P2RX7CTSL
SCHEMBL7284866 0.76 P2RX7 (0.44) ITGB3ITGA2BHDAC8P2RX7CTSL
SCHEMBL7284869 0.76 P2RX7 (0.44) ITGB3ITGA2BHDAC8P2RX7CTSL

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-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed