SCHEMBL9851461

SCHEMBL9851461

CCCc1nc2nc(Cl)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.45
AGTR2 P50052 5/20 0.45
PPARG P37231 7/20 0.44

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
SCHEMBL9851513 0.88 PPARG (0.44) AGTR1AGTR2PPARG
SCHEMBL8972048 0.88 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9851447 0.87 PPARG (0.50) AGTR1AGTR2PPARG
SCHEMBL9851517 0.87 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9851496 0.87 PPARG (0.51) AGTR1PPARG
SCHEMBL9851414 0.85 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL9194632 0.84 PPARG (0.62) AGTR1AGTR2PPARG
SCHEMBL9851474 0.84 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9704704 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9851473 0.83 AGTR1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed