SCHEMBL6844522

SCHEMBL6844522

CCCSc1nc(Cl)c2nnn([C@@H]3CN(C(=O)O)C[C@H]3O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.47
KDM1A O60341 1/20 0.35

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
SCHEMBL6626046 1.00 P2RY12 (0.47) P2RY12KDM1A
SCHEMBL6620111 0.87 P2RY12 (0.41) P2RY12
SCHEMBL5729393 0.81 P2RY12 (0.46) P2RY12KDM1A
SCHEMBL5729958 0.81 P2RY12 (0.46) P2RY12KDM1A
SCHEMBL5729389 0.81 P2RY12 (0.46) P2RY12KDM1A
SCHEMBL6075252 0.81 P2RY12 (0.46) P2RY12KDM1A
SCHEMBL6622234 0.77 P2RY12 (0.75) P2RY12
SCHEMBL6625952 0.77 P2RY12 (0.75) P2RY12
SCHEMBL16770200 0.76 P2RY12 (0.54) P2RY12
SCHEMBL16770199 0.76 P2RY12 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767910-B1 ANTICOAGULANTS ASTRAZENECA AB (SE) 2004-07-27 US disclosed