SCHEMBL7299359

SCHEMBL7299359

CCCCc1nc(C(C)(O)CC)c(C#N)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.53
AGTR2 P50052 4/20 0.53
AGT P01019 2/20 0.49
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL7308522 0.95 AGTR1 (0.58) AGTR1AGTR2AGT
SCHEMBL7299364 0.88 AGTR1 (0.53) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL1262 0.87 AGTR1 (0.57) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL7308183 0.86 AGTR1 (0.53) AGTR1AGTR2AGT
SCHEMBL7300259 0.86 AGTR1 (0.54) AGTR1AGTR2AGT
SCHEMBL27336215 0.84 AGTR1 (0.54) AGTR1AGTR2AGT
SCHEMBL7297190 0.84 AGTR1 (0.52) AGTR1AGTR2AGT
SCHEMBL7308553 0.84 AGTR1 (0.54) AGTR1AGTR2AGT
SCHEMBL7308524 0.83 AGTR1 (0.58) AGTR1AGTR2AGT
SCHEMBL7308711 0.82 AGTR1 (0.59) AGTR1AGTR2AGT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503785-B1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP disclosed
US-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed
US-5616599-A HYPOTENSIVE AGENTS FOR CARDIOVASCULAR DISORDER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed