SCHEMBL7008010

SCHEMBL7008010

COc1cc(COc2cc(C)cc(OCc3ccc4ccccc4n3)c2)ccc1-c1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 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
SCHEMBL7007498 0.93 CYSLTR1 (0.51) CYSLTR2CYSLTR1
SCHEMBL9818450 0.86 CYSLTR1 (0.52) CYSLTR2CYSLTR1
SCHEMBL9818398 0.85 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL7011368 0.83 CYSLTR1 (0.53) CYSLTR2CYSLTR1
SCHEMBL9818505 0.81 PDE10A (0.47) CYSLTR2CYSLTR1
SCHEMBL7710931 0.79 CYSLTR1 (0.53) CYSLTR2CYSLTR1
SCHEMBL7716669 0.79 CYSLTR1 (0.55) CYSLTR2CYSLTR1
SCHEMBL7451857 0.78
SCHEMBL6089637 0.78 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL7520309 0.78 CYSLTR1 (0.50) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed