SCHEMBL9714655

SCHEMBL9714655

C(=C/c1ccccc1Cc1nnn[nH]1)\c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.50
CYSLTR2 Q9NS75 9/20 0.50
PDE10A Q9Y233 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL9714666 1.00 CYSLTR1 (0.50) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9714817 0.91 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714811 0.91 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714598 0.90 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714590 0.90 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714549 0.88 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL9714556 0.88 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL9714654 0.88 CYSLTR1 (0.54) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9714643 0.88 CYSLTR1 (0.54) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9714818 0.86 CYSLTR1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed