SCHEMBL7551827

SCHEMBL7551827

CCCCNc1nc(Sc2ccc(C(F)(F)F)cc2)nc2c1nnn2[C@@H]1C[C@H](C(=O)NC(CO)C(=O)O)C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.47
▸ NAE1 Q13564 1/20 0.33
▸ UBA3 Q8TBC4 1/20 0.33

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
SCHEMBL7505912 1.00 P2RY12 (0.47) P2RY12NAE1UBA3
SCHEMBL7509281 0.89 P2RY12 (0.53) P2RY12NAE1UBA3
SCHEMBL7509278 0.89 P2RY12 (0.53) P2RY12NAE1UBA3
SCHEMBL7506183 0.88 P2RY12 (0.48) P2RY12NAE1UBA3
SCHEMBL7509705 0.84 P2RY12 (0.57) P2RY12
Bicarbonate SCHEMBL7514070 0.81 P2RY12 (0.52) P2RY12NAE1UBA3
SCHEMBL7507169 0.81 P2RY12 (0.72) P2RY12
SCHEMBL7509882 0.81 P2RY12 (0.70) P2RY12
SCHEMBL7507158 0.81 P2RY12 (0.72) P2RY12
SCHEMBL7509891 0.81 P2RY12 (0.70) 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-0998475-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-04-17 — — EP disclosed
US-6166022-A Compounds ASTRAZENECA UK LIMITED (GB) 2000-12-26 — — US disclosed
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