SCHEMBL9255952

SCHEMBL9255952

CCCc1nc2ccnn2c(O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.52
AGTR2 P50052 1/20 0.52
PPARG P37231 2/20 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
SCHEMBL9256150 0.91 PPARG (0.47) AGTR1AGTR2PPARG
SCHEMBL7312739 0.83 PPARG (0.45) PPARG
SCHEMBL7315139 0.80
SCHEMBL9257925 0.77 PPARG (0.41) AGTR1AGTR2PPARG
SCHEMBL9261174 0.75
SCHEMBL9848938 0.75 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9263013 0.73 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL901640 0.73 PRKAB2 (0.36)
SCHEMBL9262894 0.73 PRKAB2 (0.31)
SCHEMBL9260581 0.73 PPARG (0.42) AGTR1AGTR2PPARG

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
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed