SCHEMBL9851513

SCHEMBL9851513

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
AGTR1 P30556 4/20 0.43
AGTR2 P50052 4/20 0.43

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
SCHEMBL9704704 0.95 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9851461 0.88 AGTR1 (0.45) PPARGAGTR1AGTR2
SCHEMBL9851509 0.86 AGTR1 (0.56) PPARGAGTR1AGTR2
SCHEMBL8972048 0.85 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL9851447 0.85 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL9851517 0.84 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL9851496 0.84 PPARG (0.51) PPARGAGTR1
SCHEMBL9851474 0.83 AGTR1 (0.50) PPARGAGTR1AGTR2
SCHEMBL9194632 0.82 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL9705276 0.81 AGTR1 (0.53) 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