SCHEMBL8972103

SCHEMBL8972103

CCCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.53
AGTR2 P50052 2/20 0.53
PPARG P37231 1/20 0.53

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
SCHEMBL683364 0.93 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL9847923 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8566014 0.89 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL8559430 0.88 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9313461 0.85 PPARG (0.70) AGTR1AGTR2PPARG
SCHEMBL683347 0.85 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9847852 0.84 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9847799 0.81 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8972810 0.80 AGTR1 (0.77) AGTR1AGTR2PPARG
SCHEMBL9847855 0.80 AGTR1 (0.46) 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
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed