SCHEMBL9851413

SCHEMBL9851413

CCCc1nc2ccnc(C#N)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
AGTR1 P30556 8/20 0.47
AGTR2 P50052 8/20 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
SCHEMBL9851564 0.86 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL9540804 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9313896 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9851488 0.81 AGTR1 (0.56) PPARGAGTR1AGTR2
SCHEMBL8972057 0.81 AGTR1 (0.71) PPARGAGTR1AGTR2
SCHEMBL9873707 0.80 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9194632 0.80 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL9851510 0.80 AGTR1 (0.58) PPARGAGTR1AGTR2
SCHEMBL9851447 0.79 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL7301010 0.79 AGTR1 (0.46) 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-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed