SCHEMBL9051963

SCHEMBL9051963

O=Cc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.52
CYSLTR2 Q9NS75 5/20 0.52
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
GPBAR1 Q8TDU6 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6963797 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1RAB9A
SCHEMBL6177226 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1NPC1RAB9A
SCHEMBL9209846 0.82 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1NPC1RAB9A
SCHEMBL9209854 0.82 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1NPC1RAB9A
SCHEMBL10698945 0.82 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10698943 0.82 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8180239 0.81 CYSLTR1 (0.51) CYSLTR1CYSLTR2MAOBGPBAR1
SCHEMBL7011355 0.81 CYSLTR1 (0.66) CYSLTR1CYSLTR2MAOAMAOBGPBAR1
SCHEMBL8783877 0.80 CYSLTR1 (0.43) CYSLTR1CYSLTR2GPBAR1TDP1
SCHEMBL8131833 0.80 CYSLTR1 (0.57) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148389-A Diaryl 5, 6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1997-04-23 CN disclosed
EP-0737196-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1996-10-16 EP disclosed
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 US disclosed
EP-0480708-B1 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1995-10-11 EP disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
WO-1995018132-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-07-06 WO disclosed
US-5428171-A Leukotrienes antagonist; antiasthmatic, antiallergic, anti-inflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0480708-A2 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed
US-4851409-A LEUKOTRIENE ANTAGONIST, ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY, CYTOPROTECTIVE MERCK FROSST CANADA INC. (CA) 1989-07-25 US disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 EP disclosed
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed
EP-0233763-A2 2-Substituted quinoline dioic acids MERCK FROSST CANADA INC. (CA) 1987-08-26 EP disclosed