SCHEMBL7832989

SCHEMBL7832989

O=C(O)c1ccc(Cn2cc(C3c4ccc(Cl)cc4C=Cc4cc(Cl)ccc43)c(=O)[nH]c2=O)o1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 14/20 0.82
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL7838490 0.90 P2RY2 (1.00) P2RY2
SCHEMBL7840113 0.90 P2RY2 (0.82) P2RY2SMN1; SMN2
SCHEMBL7840419 0.86 P2RY2 (0.76) P2RY2NPC1RAB9A
SCHEMBL7841445 0.86 P2RY2 (0.76) P2RY2NPC1RAB9A
SCHEMBL7845260 0.86 P2RY2 (0.81) P2RY2POLB
SCHEMBL7832757 0.86 P2RY2 (0.62) P2RY2POLBSMN1; SMN2
SCHEMBL7841848 0.85 P2RY2 (0.73) P2RY2NPC1POLBRAB9ASMN1; SMN2
SCHEMBL7842391 0.84 P2RY2 (0.69) P2RY2POLB
SCHEMBL7839452 0.84 P2RY2 (0.72) P2RY2NPC1POLBRAB9A
SCHEMBL7843516 0.83 P2RY2 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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