SCHEMBL8972114

SCHEMBL8972114

CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.73
AGTR1 P30556 2/20 0.69
AGTR2 P50052 2/20 0.69

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
SCHEMBL7851749 0.94 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL8972109 0.92 AGTR1 (0.72) PPARGAGTR1AGTR2
SCHEMBL8972327 0.91 AGTR1 (0.73) PPARGAGTR1AGTR2
SCHEMBL9411713 0.90 PPARG (0.73) PPARG
SCHEMBL8872112 0.90 AGTR2 (0.62) PPARGAGTR1AGTR2
SCHEMBL9847839 0.90 PPARG (0.58) PPARGAGTR1AGTR2
SCHEMBL8971658 0.87 AGTR1 (0.75) PPARGAGTR1AGTR2
SCHEMBL9313461 0.86 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL8559430 0.86 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL8564718 0.85 AGTR1 (0.70) PPARGAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP claimed
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-5332744-A Hypotensive, congestive heart failure, intraocular pressure MERCK & CO., INC. (US) 1994-07-26 US 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-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP disclosed