SCHEMBL7842392

SCHEMBL7842392

CCCc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)O)o2)c(=O)[nH]c1=S

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 19/20 0.88
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7844224 0.94 P2RY2 (1.00) P2RY2
SCHEMBL7840348 0.93 P2RY2 (0.91) P2RY2
SCHEMBL7841848 0.92 P2RY2 (0.73) P2RY2NPC1ALDH1A1POLBRAB9A
SCHEMBL7841362 0.91 P2RY2 (0.73) P2RY2
SCHEMBL7839810 0.90 P2RY2 (0.91) P2RY2NPC1RAB9A
SCHEMBL7841381 0.87 P2RY2 (0.85) P2RY2NPC1RAB9A
SCHEMBL7832746 0.86 P2RY2 (0.82) P2RY2ALDH1A1
SCHEMBL7838490 0.85 P2RY2 (1.00) P2RY2
SCHEMBL7840113 0.85 P2RY2 (0.82) P2RY2SMN1; SMN2
SCHEMBL7840419 0.84 P2RY2 (0.76) P2RY2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 — — EP claimed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 — — US claimed
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 — — EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 — — US disclosed
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