SCHEMBL8971410

SCHEMBL8971410

CCCCc1nc2c(C(N)=O)cccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.59
AGTR1 P30556 1/20 0.54
AGTR2 P50052 1/20 0.54

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
SCHEMBL27523250 0.91 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL9191519 0.90 AGTR1 (0.52) PPARGAGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9312909 0.85 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL3664302 0.83 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8393351 0.82 AGTR1 (0.70) PPARGAGTR1AGTR2
SCHEMBL9312917 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL905725 0.82 PPARG (0.46) PPARGAGTR1AGTR2
SCHEMBL9637186 0.82 AGTR1 (0.46) PPARGAGTR1AGTR2
SCHEMBL8081257 0.82 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL905714 0.81 AGTR2 (0.62) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 EP disclosed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP disclosed
US-5328911-A Cardiovascular disorders, hypotensive agents and congestive heart failure EISAI CO., LTD. (JP) 1994-07-12 US disclosed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP disclosed
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed