SCHEMBL9847780

SCHEMBL9847780

CCCCc1nc2cnccc2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.56
AGTR1 P30556 6/20 0.51
AGTR2 P50052 6/20 0.51
CYP19A1 P11511 1/20 0.46

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
SCHEMBL9847764 0.94 PPARG (0.55) PPARGAGTR1AGTR2CYP19A1
SCHEMBL9443092 0.90 PPARG (0.68) PPARGAGTR1AGTR2
SCHEMBL8560864 0.90 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL27528971 0.87 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9638129 0.84 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL9851425 0.83 AGTR1 (0.56) PPARGAGTR1AGTR2CYP19A1
SCHEMBL8972401 0.82 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL16487178 0.81 TLR7 (0.60) AGTR1AGTR2
SCHEMBL8081261 0.81 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL9442986 0.81 EDNRA (0.54) 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 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 disclosed