SCHEMBL7841445

SCHEMBL7841445

Cc1ccc2c(c1)C=Cc1cc(C)c(C)cc1C2c1cn(Cc2ccc(C(=O)O)o2)c(=O)[nH]c1=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 17/20 0.76
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL7840113 0.95 P2RY2 (0.82) P2RY2
SCHEMBL7839451 0.92 P2RY2 (0.70) P2RY2NPC1RAB9A
SCHEMBL7839810 0.91 P2RY2 (0.91) P2RY2NPC1HSP90AA1RAB9A
SCHEMBL7840419 0.91 P2RY2 (0.76) P2RY2NPC1RAB9A
SCHEMBL7843516 0.90 P2RY2 (0.71) P2RY2NPC1HSP90AA1RAB9A
SCHEMBL7841848 0.90 P2RY2 (0.73) P2RY2NPC1RAB9A
SCHEMBL7839452 0.89 P2RY2 (0.72) P2RY2NPC1RAB9A
SCHEMBL7844224 0.86 P2RY2 (1.00) P2RY2
SCHEMBL7832989 0.86 P2RY2 (0.82) P2RY2NPC1RAB9A
SCHEMBL7841554 0.83 P2RY2 (0.58) P2RY2

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-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 — — EP disclosed
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