SCHEMBL9828550

SCHEMBL9828550

C(=C/c1cccc(OCc2ccc3ccccc3n2)c1)\c1ccc(OCc2nnn[nH]2)cc1.C(=C/c1cccc(OCc2nnn[nH]2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.52
CYSLTR2 Q9NS75 9/20 0.52
GPBAR1 Q8TDU6 3/20 0.49
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL9714840 1.00 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9714845 1.00 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9714714 1.00 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9714705 1.00 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9828557 1.00 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9714768 0.96 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714773 0.96 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714654 0.93 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9714643 0.93 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9031654 0.92 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed