SCHEMBL7978060

SCHEMBL7978060

c1ccc2nc(COCCCc3c[nH]cn3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.47
CYSLTR2 Q9NS75 8/20 0.47
GPBAR1 Q8TDU6 3/20 0.43
PDE10A Q9Y233 2/20 0.42

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
SCHEMBL7988978 0.80 GBA1 (0.41) CYSLTR1
Proxyfan SCHEMBL4072620 0.78 HRH3 (0.54)
SCHEMBL7974330 0.77 CNR1 (0.41)
SCHEMBL7510398 0.75 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL4846979 0.75 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7960978 0.74 HRH3 (0.47)
SCHEMBL4846232 0.74 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL2353460 0.73 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10A
Proxyfan SCHEMBL15130144 0.73 HRH3 (0.48)
SCHEMBL4384967 0.72 CYSLTR2 (0.33) CYSLTR1CYSLTR2GPBAR1PDE10A

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed