SCHEMBL694622

SCHEMBL694622

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
P2RY12 Q9H244 8/20 0.49
P2RX7 Q99572 8/20 0.49
TGM2 P21980 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL694623 1.00 ITGB3 (0.51) ITGB3ITGA2BP2RY12P2RX7TGM2
SCHEMBL3720732 0.90 P2RY12 (0.52) ITGB3ITGA2BP2RY12P2RX7TGM2
SCHEMBL317118 0.88 P2RX7 (0.56) P2RY12P2RX7BCHEACHE
SCHEMBL317119 0.88 P2RX7 (0.56) P2RY12P2RX7BCHEACHE
SCHEMBL951528 0.85 P2RY12 (0.55) P2RY12P2RX7
SCHEMBL951526 0.85 P2RY12 (0.55) P2RY12P2RX7
SCHEMBL317465 0.84 P2RY12 (0.59) P2RY12P2RX7
SCHEMBL317464 0.84 P2RY12 (0.59) P2RY12P2RX7
SCHEMBL954484 0.83 P2RX7 (0.51) ITGB3ITGA2BP2RY12P2RX7BCHE
SCHEMBL954482 0.83 P2RX7 (0.51) ITGB3ITGA2BP2RY12P2RX7BCHE

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-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed