SCHEMBL9714575

SCHEMBL9714575

C(=C/c1ccc(OCc2ccc3ccccc3n2)cc1)\c1ccc(CCc2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.59
CYSLTR2 Q9NS75 13/20 0.59
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52

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
SCHEMBL9714583 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9821147 0.94 CYSLTR1 (0.57) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9821142 0.94 CYSLTR1 (0.57) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9031359 0.94 CYSLTR1 (0.60) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9031360 0.94 CYSLTR1 (0.60) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10545912 0.94 CYSLTR1 (0.65) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9714795 0.91 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9714671 0.91 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9714674 0.91 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9714803 0.91 CYSLTR1 (0.49) CYSLTR1CYSLTR2

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-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed