SCHEMBL9853648

SCHEMBL9853648

CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.74
AGTR1 P30556 1/20 0.66
AGTR2 P50052 1/20 0.66

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
SCHEMBL7851373 0.94 AGTR1 (0.75) PPARGAGTR1AGTR2
SCHEMBL8790245 0.85 PPARG (0.68) PPARGAGTR1AGTR2
SCHEMBL8396958 0.85 PPARG (1.00) PPARGAGTR1AGTR2
SCHEMBL9411713 0.84 PPARG (0.73) PPARG
SCHEMBL8972114 0.84 PPARG (0.73) PPARGAGTR1AGTR2
SCHEMBL8789543 0.84 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL7850720 0.84 AGTR1 (0.62) PPARGAGTR1AGTR2
SCHEMBL9700605 0.82 PPARG (0.73) PPARGAGTR1AGTR2
SCHEMBL683752 0.82 AGTR1 (0.81) PPARGAGTR1AGTR2
SCHEMBL9853645 0.82 AGTR1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed