SCHEMBL9285111

SCHEMBL9285111

CN(C)C(=O)Cn1ccc(N)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.44
AGTR2 P50052 13/20 0.44
GRIN2B Q13224 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL9183424 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9263765 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9263754 0.84 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8953229 0.82
SCHEMBL9179727 0.79 AGTR1 (0.38) AGTR1AGTR2GRIN2B
SCHEMBL16824595 0.75 AGTR1 (0.43) AGTR1AGTR2HDAC1
SCHEMBL8088507 0.74 JAK2 (0.35) AGTR1AGTR2HDAC1
Hydrochloric Acid SCHEMBL21065250 0.73 AGTR1 (0.35) AGTR1AGTR2HDAC1
SCHEMBL8953335 0.72
SCHEMBL9264451 0.72 AGTR1 (0.77) 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
US-5476857-A Imidazopyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-19 US disclosed