SCHEMBL8971427

SCHEMBL8971427

CCCc1nc2ccccc2n1Cc1ccc(-c2ccc(OC)cc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.52
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8971991 0.92 AGTR1 (0.56) PPARGAGTR1AGTR2
SCHEMBL9194632 0.88 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL9638103 0.87 PPARG (0.53) PPARGAGTR1AGTR2LMNA
SCHEMBL9195684 0.85 EDNRA (0.55) PPARGAGTR1AGTR2
SCHEMBL9199706 0.85 AGTR1 (0.55) PPARGAGTR1AGTR2
SCHEMBL9312609 0.83 AGTR1 (0.61) PPARGAGTR1AGTR2
SCHEMBL7379673 0.83 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL8393351 0.83 AGTR1 (0.70) PPARGAGTR1AGTR2
SCHEMBL8972796 0.83 AGTR1 (0.59) AGTR1AGTR2LMNAALDH1A1
SCHEMBL9194965 0.82 AGTR1 (0.66) 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 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
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 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