SCHEMBL9829075

SCHEMBL9829075

COc1ccc(-c2nnn[nH]2)cc1Cc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR2 Q9NS75 2/20 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
SCHEMBL9827661 0.94 CYSLTR1 (0.44) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9828710 0.93 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10420729 0.91 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL6088549 0.91 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090364 0.89 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088675 0.89 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7009644 0.87 PDE10A (0.48) CYSLTR1CYSLTR2
SCHEMBL9828252 0.87 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421112 0.87 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9827383 0.86 CYSLTR1 (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051427-A Antiinflammatory agents and antiallergens RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-09-24 US claimed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP claimed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP claimed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US claimed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO claimed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed