SCHEMBL7378689

SCHEMBL7378689

CCCc1nc2nccc(C)c2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.59
NOS1 P29475 5/20 0.59
NOS3 P29474 2/20 0.59
AURKA O14965 1/20 0.46
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
PRMT5 O14744 2/20 0.42
KDM4C Q9H3R0 1/20 0.37
POLB P06746 1/20 0.36
ENPP1 P22413 1/20 0.35
CYP2C9 P11712 1/20 0.35
TACR2 P21452 1/20 0.33

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
SCHEMBL9041424 0.90 NOS1 (0.56) NOS2NOS1NOS3AURKAADORA1
SCHEMBL9648738 0.89 PI4KA (0.57) NOS2NOS1NOS3AURKAADORA1
SCHEMBL9406720 0.88 PI4KA (0.56) NOS2NOS1NOS3AURKAPI4KA
SCHEMBL3211252 0.86 ADORA1 (0.57) NOS2NOS1NOS3AURKAADORA1
SCHEMBL9406926 0.82 ADORA1 (0.43) NOS2NOS1NOS3ADORA1ADORA3
SCHEMBL3964555 0.82 ADORA1 (0.43) NOS2NOS1NOS3ADORA1ADORA3
SCHEMBL31569166 0.81 NOS2 (0.53) NOS2NOS1NOS3AURKAADORA1
SCHEMBL9406899 0.80 ADORA1 (0.42) NOS2NOS1NOS3ADORA1ADORA3
SCHEMBL9406654 0.79 NOS2 (0.58) NOS2NOS1NOS3AURKAADORA1
SCHEMBL21533573 0.77 NOS2 (0.56) NOS2NOS1NOS3AURKAPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519138-A ANGIOTENSIN ANTAGONIST DR. KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5387684-A For treatment and prophylaxis of angiotensin II-mediated diseases such as circulatory diseases of hypertension and heart failure THE GREEN CROSS CORPORATION (JP) 1995-02-07 US disclosed
US-5332744-A Hypotensive, congestive heart failure, intraocular pressure MERCK & CO., INC. (US) 1994-07-26 US disclosed
EP-0602246-A1 ISOINDAZOLE COMPOUND THE GREEN CROSS CORPORATION (JP) 1994-06-22 EP disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
EP-0543491-A2 Angiotensin II antagonists having a substituted 1,3-benzodioxolering or 1,3-benzodithiolering MERCK & CO. INC. (US) 1993-05-26 EP disclosed
EP-0529253-A1 Phenylalkylderivatives, compounds containing them and process for their fabrication Dr. Karl Thomae GmbH (DE) 1993-03-03 EP disclosed
US-5187159-A Hypotensive agents, psychological disorders MERCK & CO., INC. (US) 1993-02-16 US disclosed
US-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0508723-A1 Angiotensin II antagonists incorporating an indole or dihydroindole MERCK & CO. INC. (US) 1992-10-14 EP disclosed
US-5151435-A Hypotensive agents, glaucoma and cognition activators MERCK & CO., INC. (US) 1992-09-29 US disclosed
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
US-5087702-A Fermentation of streptomyces in the presence of angiotensin II receptor antagonist MERCK & CO., INC. (US) 1992-02-11 US disclosed
US-5066586-A Fermenting 3-((2'-tetrazol-5-yl-biphenyl-4-yl)methyl)-7-methyl-2-propyl-3H-imidazo(4,5 -B)pyridine to oxidize MERCK & CO., INC. (US) 1991-11-19 US disclosed
US-5053329-A Aerobic culturing of actinoplanes yields hypotensive agent MERCK & CO., INC. (US) 1991-10-01 US disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP disclosed