SCHEMBL7715802

SCHEMBL7715802

c1ccc2nc(COc3ccc(OCc4ccc(-c5nnn[nH]5)cc4)cc3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.57
CYSLTR2 Q9NS75 5/20 0.56
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51

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
SCHEMBL7101389 1.00 CYSLTR1 (0.57) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL12892171 0.95 CYSLTR1 (0.59) CYSLTR1CYSLTR2
SCHEMBL9828138 0.94 CYSLTR1 (0.63) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9827649 0.94 CYSLTR1 (0.61) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9830499 0.92 CYSLTR1 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9828218 0.92 CYSLTR1 (0.61) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7005427 0.92 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL9818402 0.91 CYSLTR1 (0.46) CYSLTR1CYSLTR2
SCHEMBL6089355 0.91 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7717062 0.91 CYSLTR2 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed