SCHEMBL9757009

SCHEMBL9757009

c1cc(COc2ccc3nc(-c4nnn[nH]4)sc3c2)cc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL9757099 0.93 PDE10A (0.49) CYSLTR1CYSLTR2PDE10A
SCHEMBL6089355 0.84 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7010321 0.83 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757016 0.81 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9756987 0.81 PDE10A (0.49) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7008709 0.81 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7716669 0.81 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088514 0.80 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7008285 0.80 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9818450 0.79 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2

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
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed