SCHEMBL9033017

SCHEMBL9033017

N#CC=Cc1ccc(C=Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.57
CYSLTR2 Q9NS75 9/20 0.57
GPBAR1 Q8TDU6 6/20 0.55
PDE10A Q9Y233 1/20 0.50

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
SCHEMBL9033024 1.00 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10481940 0.97 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10481937 0.97 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7007446 0.91 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7007449 0.91 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10481932 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10481934 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9829628 0.88 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9829622 0.88 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9032345 0.85 CYSLTR1 (0.62) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920130-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS RORER PHARAMCEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed