SCHEMBL9821174

SCHEMBL9821174

C(=C/c1cccc(-c2nnn[nH]2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.55
CYSLTR2 Q9NS75 8/20 0.55
GPBAR1 Q8TDU6 2/20 0.48

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
SCHEMBL9034082 1.00 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9821230 0.93 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL9033067 0.93 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL9821257 0.93 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9034212 0.93 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9212940 0.91 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9821126 0.87 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714626 0.87 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10608556 0.87 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714768 0.87 CYSLTR1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed