SCHEMBL9490984

SCHEMBL9490984

CCCCc1nc2c(C)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL8361925 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8536331 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8359904 0.86 ACHE (0.44) AGTR1AGTR2
SCHEMBL8364591 0.85 KDM4E (0.40) AGTR1AGTR2
SCHEMBL8359346 0.84 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8357009 0.83 TLR7 (0.39) AGTR1AGTR2
SCHEMBL8359916 0.83 PPARG (0.39) AGTR1AGTR2
SCHEMBL8359678 0.83 PPARG (0.39) AGTR1AGTR2
SCHEMBL8357724 0.83 ACHE (0.38) AGTR1
SCHEMBL8364565 0.82 ACHE (0.37) AGTR1

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-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed