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SCHEMBL5264364

SCHEMBL5264364

CCc1cc2c(N3CCN(C(=O)[C@@H]4C[C@H]4c4ccccc4)CC3)nc(OC[C@H](O)CO)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL5264361 1.00 P2RY12 (0.50) P2RY12MEN1SIGMAR1HRH3
SCHEMBL5266045 0.83 P2RY12 (0.61) P2RY12MEN1
SCHEMBL5267701 0.83 P2RY12 (0.64) P2RY12MEN1
SCHEMBL5270442 0.82 P2RY12 (0.50) P2RY12MEN1SIGMAR1HRH3
SCHEMBL5270444 0.82 P2RY12 (0.50) P2RY12MEN1SIGMAR1HRH3
SCHEMBL5382419 0.82 P2RY12 (0.43) P2RY12MEN1HRH3
SCHEMBL5382429 0.82 P2RY12 (0.43) P2RY12MEN1HRH3
SCHEMBL5382425 0.82 P2RY12 (0.43) P2RY12MEN1HRH3
SCHEMBL5263918 0.81 P2RY12 (0.59) P2RY12MEN1
SCHEMBL5265651 0.81 P2RY12 (0.65) 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