SCHEMBL9757099

SCHEMBL9757099

c1ccc2nc(COc3ccc(COc4ccc5nc(-c6nnn[nH]6)sc5c4)cc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.49
CYSLTR1 Q9Y271 5/20 0.48
CYSLTR2 Q9NS75 4/20 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
SCHEMBL9757009 0.93 CYSLTR1 (0.51) PDE10ACYSLTR1CYSLTR2
SCHEMBL9757104 0.83 PDE10A (0.49) PDE10ACYSLTR1CYSLTR2
SCHEMBL7101389 0.82 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7715802 0.82 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7717062 0.82 CYSLTR2 (0.59) CYSLTR1CYSLTR2
SCHEMBL9757192 0.80 PDE10A (0.51) PDE10ACYSLTR1CYSLTR2
SCHEMBL7005427 0.79 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7710931 0.79 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL6089355 0.78 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7715810 0.78 CYSLTR1 (0.60) CYSLTR1CYSLTR2

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