SCHEMBL9847869

SCHEMBL9847869

CCCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.47
AGTR1 P30556 5/20 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
SCHEMBL9847856 0.96 AGTR2 (0.47) AGTR2AGTR1
SCHEMBL9847846 0.93 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL8971897 0.91 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL9847838 0.91 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL9847847 0.90 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL8971480 0.87 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL9847782 0.86 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL9847777 0.86 AGTR1 (0.52) AGTR2AGTR1
SCHEMBL7050680 0.85 AGTR1 (0.55) AGTR2AGTR1
SCHEMBL9847884 0.84 AGTR2 (0.50) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP claimed