SCHEMBL5312178

SCHEMBL5312178

CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC(=O)CCNC(=O)O)nc2s1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.83

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
SCHEMBL4918110 0.91 P2RY12 (0.79) P2RY12
SCHEMBL4921875 0.91 P2RY12 (0.81) P2RY12
SCHEMBL4921883 0.91 P2RY12 (0.81) P2RY12
SCHEMBL4914253 0.91 P2RY12 (1.00) P2RY12
SCHEMBL14087395 0.90 P2RY12 (0.74) P2RY12
SCHEMBL4914196 0.90 P2RY12 (0.79) P2RY12
SCHEMBL4910991 0.89 P2RY12 (0.73) P2RY12
SCHEMBL14113070 0.89 P2RY12 (0.73) P2RY12
SCHEMBL4918085 0.89 P2RY12 (0.73) P2RY12
SCHEMBL4918999 0.89 P2RY12 (0.85) P2RY12

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
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed