SCHEMBL7016124

SCHEMBL7016124

Cc1ccc(-c2ccccc2CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
DPP4 P27487 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SYK P43405 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL9456872 0.89 DPP4 (0.50) HTR7DPP4PDCD1CD274KMT2A
SCHEMBL31179899 0.87 DPP4 (0.48) HTR7DPP4PDCD1CD274KMT2A
SCHEMBL83911 0.82 DPP4 (0.60) HTR7DPP4PDCD1CD274KMT2A
O-Xylene SCHEMBL28322442 0.82 DPP4 (0.50) HTR7DPP4PDCD1CD274KMT2A
SCHEMBL7934930 0.81 TRPA1 (0.46) HTR7DPP4FFAR1FFAR4PDCD1
SCHEMBL1308849 0.81 DPP4 (0.43) DPP4FFAR1FFAR4PDCD1CD274
SCHEMBL29655972 0.81 TRPA1 (0.46) HTR7DPP4FFAR1FFAR4PDCD1
SCHEMBL1559894 0.81 CYP2C19 (0.49) HTR7DPP4FFAR1FFAR4KMT2A
SCHEMBL812762 0.81 PDCD1 (0.57) HTR7DPP4FFAR1FFAR4PDCD1
Water SCHEMBL10404160 0.80 DPP4 (0.58) HTR7DPP4PDCD1CD274KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed