SCHEMBL9846768

SCHEMBL9846768

CCCCc1nc2ccccc2n1Cc1ccc2[nH]c(-c3ccccc3C(=O)O)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.69
AGTR2 P50052 7/20 0.69
PPARG P37231 4/20 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
SCHEMBL9846690 0.83 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL7021447 0.82 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9846728 0.81 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL8393637 0.80 PPARG (1.00) AGTR1AGTR2PPARG
SCHEMBL9198204 0.79 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9196687 0.78 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL8393642 0.76 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8790347 0.76 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8396958 0.76 PPARG (1.00) AGTR1AGTR2PPARG
SCHEMBL8396480 0.76 AGTR1 (0.80) 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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed