SCHEMBL9846708

SCHEMBL9846708

CCCCc1nccn1Cc1ccc2[nH]c(-c3ccccc3C(=O)OC)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.54
AGTR2 P50052 2/20 0.54
HSP90AA1 P07900 2/20 0.43
HSP90B1 P14625 2/20 0.43
HSP90AB1 P08238 1/20 0.43
PPARG P37231 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL9846728 0.91 AGTR1 (0.67) AGTR1AGTR2PPARGFFAR1
SCHEMBL9846692 0.87 AGTR1 (0.43) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846795 0.83 AGTR1 (0.48) AGTR1AGTR2HSP90AA1PPARGFFAR1
SCHEMBL9846722 0.83 AGTR1 (0.52) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL10576800 0.82 AGTR1 (0.60) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846687 0.81 AGTR1 (0.51) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9309540 0.81 AGTR1 (0.54) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846714 0.81 AGTR1 (0.47) AGTR1AGTR2PPARGFFAR1
SCHEMBL9309546 0.81 AGTR1 (0.54) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846705 0.79 AGTR1 (0.43) 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 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