SCHEMBL8972015

SCHEMBL8972015

Cc1cc(C)c2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.52
AGTR2 P50052 6/20 0.51
PPARG P37231 1/20 0.45

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
SCHEMBL9847830 0.91 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL7298948 0.88 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL8972044 0.88 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8826204 0.87 AGTR1 (0.49) AGTR1AGTR2PPARG
Potassium SCHEMBL8826225 0.87 AGTR1 (0.49) AGTR1AGTR2PPARG
Ammonia Solution, Strong SCHEMBL9053252 0.87 AGTR1 (0.64) AGTR1AGTR2
L-158809 SCHEMBL683357 0.84 AGTR2 (0.71) AGTR1AGTR2
SCHEMBL8566867 0.84 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL9700299 0.84 AGTR1 (0.43) AGTR1AGTR2
L-158809 SCHEMBL7944169 0.84 AGTR2 (0.70) 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 5 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-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
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed