SCHEMBL8872809

SCHEMBL8872809

CCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 1/20 0.44
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
BDKRB1 P46663 3/20 0.40
POLB P06746 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MAP4K1 Q92918 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ACHE P22303 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
BRS3 P32247 1/20 0.38

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
SCHEMBL8873865 0.91 AGTR1 (0.47) SLC6A3SLC6A4AGTR1AGTR2TLR8
SCHEMBL8874060 0.91 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2AGTR1AGTR2
SCHEMBL8873625 0.91 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2AGTR1AGTR2
SCHEMBL9414619 0.88 MEN1 (0.38) AGTR1POLB
SCHEMBL8873335 0.86 AGTR1 (0.47) SLC6A3SLC6A4SLC6A2AGTR1AGTR2
SCHEMBL8872976 0.83 AGTR1 (0.47) SLC6A3SLC6A4AGTR1AGTR2ACHE
SCHEMBL8872214 0.83 AGTR1 (0.45) SLC6A3AGTR1AGTR2TLR8ACHE
SCHEMBL9279917 0.79 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9016524 0.78 PPARG (0.41) AGTR1ACHE
SCHEMBL7388926 0.78 F10 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed