SCHEMBL9033987

SCHEMBL9033987

ClCc1ccc(OCc2ccc3ccccc3n2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.63
CYSLTR2 Q9NS75 10/20 0.63
FFAR1 O14842 1/20 0.58
AKR1B1 P15121 1/20 0.58
GPBAR1 Q8TDU6 1/20 0.56
ALOX5 P09917 2/20 0.53
PDE10A Q9Y233 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
SCHEMBL5160956 0.91 CYSLTR1 (0.74) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
Hydrochloric Acid SCHEMBL7009696 0.90 CYSLTR1 (0.72) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10544473 0.81 CYSLTR1 (0.84) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10547998 0.79 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL25297779 0.78 LMNA (0.53) FFAR1
SCHEMBL10446852 0.78 CYSLTR1 (0.75) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10446560 0.78 CYSLTR1 (0.79) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL6583715 0.78 CYSLTR1 (0.68) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL3076102 0.77 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8001866 0.77 CYSLTR1 (0.74) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920130-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS RORER PHARAMCEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed