SCHEMBL7007498

SCHEMBL7007498

COc1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)ccc1-c1nnn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
GPBAR1 Q8TDU6 2/20 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
SCHEMBL9818450 0.94 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7008010 0.93 CYSLTR2 (0.43) CYSLTR1CYSLTR2
SCHEMBL7011368 0.89 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7716669 0.86 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7520309 0.84 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7005427 0.83 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088675 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090364 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7008709 0.82 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10536228 0.82 PDE10A (0.38)

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-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