SCHEMBL8746348

SCHEMBL8746348

Nc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.54
CYSLTR2 Q9NS75 9/20 0.54
CYP19A1 P11511 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
ABCC1 P33527 4/20 0.45
ABCC2 Q92887 3/20 0.45
MEN1 O00255 1/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC5 O15440 1/20 0.45
SLCO2B1 O94956 1/20 0.45
ABCB11 O95342 1/20 0.45

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
SCHEMBL8783716 1.00 CYSLTR1 (0.54) CYSLTR1CYSLTR2CYP19A1MAOAMAOB
SCHEMBL13513030 0.90 CYSLTR1 (0.59) CYSLTR1CYSLTR2NPC1KDM4ELMNA
SCHEMBL8303664 0.84 CYSLTR1 (0.55) CYSLTR1CYSLTR2NPC1KDM4ELMNA
SCHEMBL8303662 0.84 CYSLTR1 (0.55) CYSLTR1CYSLTR2NPC1KDM4ELMNA
SCHEMBL6796716 0.84 CYSLTR2 (0.68) CYSLTR1CYSLTR2CYP19A1MAOAMAOB
SCHEMBL6796712 0.84 CYSLTR2 (0.68) CYSLTR1CYSLTR2CYP19A1MAOAMAOB
SCHEMBL6750524 0.83 KDM4E (0.67) CYSLTR1CYSLTR2NPC1KDM4ELMNA
SCHEMBL9757052 0.83 CYSLTR1 (0.72) CYSLTR1CYSLTR2NPC1KDM4ELMNA
SCHEMBL9757059 0.83 CYSLTR1 (0.72) CYSLTR1CYSLTR2NPC1KDM4ELMNA
SCHEMBL6990449 0.83 CYSLTR1 (0.54) CYSLTR1CYSLTR2NPC1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773931-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1997-05-21 EP disclosed
EP-0654026-B1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS LEO PHARM PROD LTD (DK) 1997-02-19 EP disclosed
US-5576438-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktiesel Skab) (DK) 1996-11-19 US disclosed
WO-1996002506-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-02-01 WO disclosed
EP-0654026-A1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-05-24 EP disclosed
WO-1994003431-A1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1994-02-17 WO disclosed