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SCHEMBL9828529

SCHEMBL9828529

C(=Cc1ccc(OCc2nnn[nH]2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.C(=Cc1cccc(OCc2nnn[nH]2)c1)c1ccc(OCc2ccc3ccccc3n2)cc1.C(=Cc1ccccc1OCCCCc1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1.C(=Cc1ccccc1OCc1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1.C(=Cc1ccccc1OCc1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 12/20 0.46
▸ CYSLTR1 Q9Y271 12/20 0.46
▸ GPBAR1 Q8TDU6 2/20 0.44

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
SCHEMBL9714609 0.92 CYSLTR1 (0.48) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9714616 0.92 CYSLTR1 (0.48) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9714693 0.92 CYSLTR1 (0.49) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9714700 0.92 CYSLTR1 (0.49) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9032056 0.90 CYSLTR1 (0.55) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9031654 0.90 CYSLTR1 (0.55) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9031647 0.90 CYSLTR1 (0.55) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9032051 0.90 CYSLTR1 (0.55) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9714818 0.89 CYSLTR1 (0.46) CYSLTR2CYSLTR1GPBAR1
SCHEMBL9714824 0.89 CYSLTR1 (0.46) CYSLTR2CYSLTR1GPBAR1

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-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? — 1991-07-03 — — EP disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 — — EP disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 — — WO disclosed