SCHEMBL7020436

SCHEMBL7020436

CCCCCCC(C(=O)O)n1ccc2cc(-c3ccccc3-c3nn[nH]n3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.47
LTB4R2 Q9NPC1 2/20 0.46
ABCB11 O95342 1/20 0.46
GP6 Q9HCN6 1/20 0.46
PLA2G4A P47712 1/20 0.46
AGTR2 P50052 2/20 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
SCHEMBL7017865 0.99 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7019155 0.89 AGTR1 (0.45) AGTR1LTB4R2PLA2G4AAGTR2
SCHEMBL7015549 0.85 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7020280 0.84 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6
SCHEMBL7017110 0.84 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7019881 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7020676 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7020684 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7020678 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7016997 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6

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-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-6218414-B1 ADMINISTERING AN EFFECTIVE AMOUNT OF AN ANGIOTENSIN II ANTAGONIST AND A BENZOFURAN DERIVATIVE WITH ANTIARRHYTHMIC ACTIVITY FOR THERAPY OF CARDIOVASCULAR COMPLAINTS SANOFI (FR) 2001-04-17 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed