SCHEMBL8872013

SCHEMBL8872013

CCCCc1nc2c(C)cc(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.46
AGTR2 P50052 3/20 0.46
ACHE P22303 1/20 0.44

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
SCHEMBL8873335 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8873865 0.87 AGTR1 (0.47) AGTR1AGTR2ACHE
SCHEMBL8873855 0.86 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8872976 0.85 AGTR1 (0.47) AGTR1AGTR2ACHE
SCHEMBL8872214 0.85 AGTR1 (0.45) AGTR1AGTR2ACHE
SCHEMBL8873549 0.80 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8958794 0.80 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9016503 0.79 AGTR1 (0.48) AGTR1AGTR2ACHE
SCHEMBL8359904 0.79 ACHE (0.44) AGTR1AGTR2ACHE
SCHEMBL8872809 0.78 SLC6A3 (0.45) AGTR1AGTR2ACHE

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 4 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
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed