SCHEMBL9847847

SCHEMBL9847847

CCCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
AGTR2 P50052 4/20 0.47
GPR4 P46093 2/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL9847882 0.93 AGTR1 (0.48) AGTR1AGTR2GPR4PPARG
SCHEMBL8563844 0.92 AGTR2 (0.53) AGTR1AGTR2
SCHEMBL9847869 0.90 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9847835 0.90 AGTR1 (0.47) AGTR1AGTR2GPR4PPARG
SCHEMBL9847856 0.86 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9847826 0.85 AGTR1 (0.62) AGTR1AGTR2GPR4
SCHEMBL8741166 0.85 AGTR2 (0.61) AGTR1AGTR2GPR4PPARG
SCHEMBL683358 0.85 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL9847846 0.83 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9847923 0.82 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 2 patents. 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
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed