SCHEMBL10547607

SCHEMBL10547607

COc1cccc2ccc(COc3cccc(CC4=CCCC=C4)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 15/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL10919443 0.79 GPBAR1 (0.47) PDE10AGPBAR1CYSLTR1ALOX5
SCHEMBL10547024 0.71 PDE10A (0.49) PDE10AGPBAR1CYSLTR1
SCHEMBL10546022 0.71 GPBAR1 (0.65) PDE10AGPBAR1CYSLTR1
SCHEMBL10543676 0.70 PDE10A (0.57) PDE10ACYSLTR1
SCHEMBL4388489 0.65 PDE10A (0.79) PDE10A
SCHEMBL2840650 0.64 PDE10A (0.63) PDE10A
SCHEMBL17384532 0.63 CYSLTR1 (0.38) CYSLTR1
SCHEMBL22901568 0.63 MAPT (0.54) —
SCHEMBL20636307 0.62 LTA4H (0.47) —
SCHEMBL4389390 0.62 PDE10A (0.70) PDE10A

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
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 — — US disclosed
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