SCHEMBL9848938

SCHEMBL9848938

CCCc1nc(C)n(C)c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
PPARG P37231 1/20 0.53
AGTR2 P50052 1/20 0.50

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
SCHEMBL9848910 0.94 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8669886 0.79 AGTR1 (0.46) AGTR1PPARGAGTR2
SCHEMBL9310003 0.77 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8979768 0.77
SCHEMBL8979842 0.77 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL1888296 0.76 ACHE (0.47) AGTR1PPARG
SCHEMBL9255952 0.75 AGTR1 (0.52) AGTR1PPARGAGTR2
SCHEMBL8979891 0.75 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8979774 0.75 BRS3 (0.48) AGTR1AGTR2
SCHEMBL8979739 0.75 AGTR2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435827-A2 Diaza compounds CIBA-GEIGY AG (CH) 1991-07-03 EP claimed
EP-0435827-A2 Diaza compounds CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed