SCHEMBL7714653

SCHEMBL7714653

c1cc(Cc2nnn[nH]2)cc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.56
GPBAR1 Q8TDU6 1/20 0.56
CYSLTR2 Q9NS75 3/20 0.53

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
SCHEMBL7715945 0.96 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7714758 0.95 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8107945 0.95 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421737 0.94 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10420346 0.93 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088661 0.93 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7011760 0.93 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10422068 0.92 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421918 0.92 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9827184 0.92 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2

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-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US 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