SCHEMBL9479331

SCHEMBL9479331

CCCCC(=O)Nc1ccn(Cc2cccs2)c(=O)c1NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.44
AGTR2 P50052 4/20 0.44
BDKRB1 P46663 1/20 0.39
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 4/20 0.34
FLT3 P36888 1/20 0.34
HDAC1 Q13547 1/20 0.34
TP53 P04637 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL9479341 0.89 AGTR1 (0.46) AGTR1AGTR2MAPTPOLB
SCHEMBL9263754 0.85 AGTR1 (0.44) AGTR1AGTR2BDKRB1
SCHEMBL9479326 0.85 AGTR1 (0.40) AGTR1AGTR2MAPTLMNAFLT3
SCHEMBL9478800 0.80 AGTR1 (0.38) AGTR1AGTR2MAPTPOLBLMNA
SCHEMBL8081241 0.79 BDKRB1 (0.44) AGTR1AGTR2BDKRB1LTB4R2
SCHEMBL8953441 0.78 BDKRB1 (0.38) BDKRB1
SCHEMBL9486277 0.76 LTB4R2 (0.44) AGTR1AGTR2LTB4R2
SCHEMBL9263765 0.75 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9478555 0.74 AGTR1 (0.38) AGTR1AGTR2MAPTPOLBLMNA
SCHEMBL7575469 0.73 BDKRB1 (0.44) AGTR1AGTR2BDKRB1LTB4R2

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-5242928-A Angiotensin II antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 US disclosed