SCHEMBL8548212

SCHEMBL8548212

CCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CCCN)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.50
ITGA2B P08514 11/20 0.50
ITGAV P06756 1/20 0.43
P2RX7 Q99572 3/20 0.43
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP7 Q9UHL4 1/20 0.42
KLKB1 P03952 1/20 0.41
CTSK P43235 3/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41

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
SCHEMBL8548220 1.00 ITGB3 (0.50) ITGB3ITGA2BITGAVP2RX7DPP4
SCHEMBL7295572 0.93 ITGB3 (0.47) ITGB3ITGA2BP2RX7DPP4DPP8
SCHEMBL7295577 0.93 ITGB3 (0.47) ITGB3ITGA2BP2RX7DPP4DPP8
SCHEMBL7295570 0.93 ITGB3 (0.47) ITGB3ITGA2BP2RX7DPP4DPP8
SCHEMBL7287954 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAVP2RX7CTSK
SCHEMBL7287967 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAVP2RX7CTSK
SCHEMBL7287962 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAVP2RX7CTSK
SCHEMBL7308737 0.81 P2RX7 (0.47) ITGB3ITGA2BP2RX7CTSKCTSB
SCHEMBL8355654 0.80 ITGB3 (0.47) ITGB3ITGA2BP2RX7DPP4DPP8
Hydrochloric Acid SCHEMBL8553377 0.79 P2RX7 (0.41) ITGB3ITGA2BP2RX7CTSKCTSB

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
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed