SCHEMBL3720732

SCHEMBL3720732

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.52
P2RX7 Q99572 8/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
TGM2 P21980 1/20 0.49

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
SCHEMBL317118 0.91 P2RX7 (0.56) P2RY12P2RX7
SCHEMBL317119 0.91 P2RX7 (0.56) P2RY12P2RX7
SCHEMBL694623 0.90 ITGB3 (0.51) P2RY12P2RX7ITGB3ITGA2BTGM2
SCHEMBL694622 0.90 ITGB3 (0.51) P2RY12P2RX7ITGB3ITGA2BTGM2
SCHEMBL951526 0.89 P2RY12 (0.55) P2RY12P2RX7
SCHEMBL951528 0.89 P2RY12 (0.55) P2RY12P2RX7
SCHEMBL317464 0.87 P2RY12 (0.59) P2RY12P2RX7
SCHEMBL317465 0.87 P2RY12 (0.59) P2RY12P2RX7
SCHEMBL954484 0.86 P2RX7 (0.51) P2RY12P2RX7ITGB3ITGA2B
SCHEMBL954482 0.86 P2RX7 (0.51) P2RY12P2RX7ITGB3ITGA2B

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
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 WO disclosed