SCHEMBL8595609

SCHEMBL8595609

c1ccc2nc(COn3ccc4ccccc43)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.50
CYSLTR2 Q9NS75 2/20 0.50
GPBAR1 Q8TDU6 7/20 0.45
PDE10A Q9Y233 6/20 0.43
CYP1A2 P05177 2/20 0.41

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
SCHEMBL3334839 0.74 TSHR (0.46)
SCHEMBL29617408 0.74 TSHR (0.46)
SCHEMBL28706328 0.74 SLC6A2 (0.42) PDE10ACYP1A2
SCHEMBL2353460 0.73 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL30233726 0.71 CDK4 (0.47)
SCHEMBL3576716 0.71 CDK4 (0.47)
SCHEMBL7720340 0.71 GPBAR1 (0.46) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL28696512 0.71 CDK4 (0.37)
Cyclohexane SCHEMBL3204446 0.70 TSHR (0.43)
SCHEMBL5558132 0.70 PDE10A (0.50) CYSLTR1CYSLTR2GPBAR1PDE10A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691972-B1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 1998-07-01 EP disclosed
EP-0535925-B1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC (CA) 1996-04-24 EP disclosed
EP-0691972-A1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-01-17 EP disclosed
EP-0544819-B1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1995-12-06 EP disclosed
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5389650-A Antiinflammatory agents, anticoagulants, antispasmodic agents MERCK FROSST CANADA, INC. (CA) 1995-02-14 US disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
US-5374635-A Antiinflammatory agents, lipoxygenase inhibitor, antiallergens , cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1994-12-20 US disclosed
WO-1994022869-A1 FURO[3,2-b]PYRIDINES AND THIENO[3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-10-13 WO disclosed
US-5334719-A Antihistamines, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1994-08-02 US disclosed
US-5252585-A Fluorinated quinoline indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-10-12 US disclosed
WO-1993016069-A1 (AZAAROMATICALKOXY)INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1993-08-19 WO disclosed
EP-0542355-A1 Amorphous (Quinolin-2-ylmethoxy)indoles as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1993-05-19 EP disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0535923-A1 (Azaarylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
EP-0535924-A1 (Bicyclic-azaarylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
EP-0535926-A1 (Hetero-arylmethoxy) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
EP-0535925-A1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
US-5190968-A Antiinflammatory MERCK FROSST CANADA, INC. (CA) 1993-03-02 US disclosed
EP-0419049-A1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1991-03-27 EP disclosed