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SCHEMBL9829047

SCHEMBL9829047

c1cc(CCc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2nnn[nH]2)c1.c1cc(CCc2ccc(OCc3nnn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(CCc2cccc(OCc3nnn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(Cc2ccc(OCCc3nnn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(Cc4ccc(OCCc5nnn[nH]5)cc4)cc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 9/20 0.51
▸ CYSLTR2 Q9NS75 8/20 0.51
▸ GPBAR1 Q8TDU6 2/20 0.48

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
SCHEMBL10420356 0.96 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421816 0.96 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828115 0.95 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9827502 0.95 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421928 0.95 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10422068 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9827674 0.92 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10422102 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421908 0.92 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421918 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? — 1991-03-13 — — EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 — — EP disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 — — WO disclosed