SCHEMBL6997873

SCHEMBL6997873

CCCSc1nc(NCC/C=C/c2ccccc2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1.CCNC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.57

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
SCHEMBL6990478 0.93 P2RY12 (0.59) P2RY12
SCHEMBL7000586 0.88 P2RY12 (0.61) P2RY12
SCHEMBL6997872 0.86 P2RY12 (0.68) P2RY12
SCHEMBL7001051 0.83 P2RY12 (0.56) P2RY12
Bicarbonate SCHEMBL7509640 0.82 P2RY12 (0.66) P2RY12
Bicarbonate SCHEMBL7510618 0.82 P2RY12 (0.65) P2RY12
SCHEMBL6996910 0.81 P2RY12 (0.63) P2RY12
SCHEMBL7510570 0.80 P2RY12 (0.58) P2RY12
SCHEMBL7510820 0.80 P2RY12 (0.57) P2RY12
Bicarbonate SCHEMBL7510959 0.80 P2RY12 (0.73) 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
EP-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 — — EP claimed
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