SCHEMBL9714549

SCHEMBL9714549

C(=C/c1ccc(OCc2ccc3ccccc3n2)cc1)\c1ccc(Cc2nnn[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.58
CYSLTR2 Q9NS75 9/20 0.58
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL9714556 1.00 CYSLTR1 (0.58) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10543991 0.94 CYSLTR1 (0.65) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9829080 0.92 CYSLTR1 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7006454 0.91 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6090157 0.91 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9714654 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2
SCHEMBL9714643 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2
SCHEMBL9714786 0.91 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL9714794 0.91 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL9714772 0.91 CYSLTR1 (0.48) 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