SCHEMBL5370197

SCHEMBL5370197

CC1(C)OC[C@H](CO)O1.CCCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(OC[C@H]3COC(C)(C)O3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.51
MEN1 O00255 1/20 0.44
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL5267523 0.86 P2RY12 (0.48) P2RY12MEN1CNR2GPR55
SCHEMBL5263411 0.86 P2RY12 (0.53) P2RY12MEN1
SCHEMBL5270416 0.84 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5340280 0.83 P2RY12 (0.51) P2RY12MEN1
SCHEMBL5266625 0.83 P2RY12 (0.51) P2RY12MEN1
SCHEMBL5264077 0.82 P2RY12 (0.67) P2RY12MEN1
SCHEMBL5263822 0.82 P2RY12 (0.50) P2RY12MEN1
SCHEMBL5268276 0.82 P2RY12 (0.50) P2RY12MEN1
SCHEMBL5266300 0.82 P2RY12 (0.50) P2RY12MEN1
SCHEMBL5267881 0.82 P2RY12 (0.50) P2RY12MEN1

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-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed