SCHEMBL8972259

SCHEMBL8972259

CCCCc1nc2ccc(F)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.56
AGTR2 P50052 3/20 0.56
EDNRA P25101 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
SCHEMBL8972530 0.93 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9198359 0.90 AGTR1 (0.57) AGTR1AGTR2EDNRA
SCHEMBL8394610 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9854234 0.89 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8393351 0.89 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8393908 0.88 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9195684 0.88 EDNRA (0.55) AGTR1AGTR2EDNRA
SCHEMBL8788997 0.86 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL7309378 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9194965 0.86 AGTR1 (0.66) 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 4 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-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