SCHEMBL9045987

SCHEMBL9045987

CCCc1nc(CCN)c(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
BRS3 P32247 11/20 0.41
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL9043004 0.94 BRS3 (0.42) ACHEBRS3AGTR1AGTR2
Hydrochloric Acid SCHEMBL8992385 0.84 AGTR1 (0.48) ACHEBRS3AGTR1AGTR2
SCHEMBL9054292 0.81 ACHE (0.44) ACHEBRS3AGTR1AGTR2
SCHEMBL9044849 0.79 BRS3 (0.45) ACHEBRS3AGTR1AGTR2
SCHEMBL8671888 0.74 ACHE (0.49) ACHEBRS3AGTR1AGTR2
SCHEMBL9583427 0.73 ACHE (0.41) ACHE
SCHEMBL8802322 0.73 ACHE (0.49) ACHEBRS3AGTR1AGTR2
SCHEMBL489306 0.73 NR1H2 (0.48) ACHEBRS3
SCHEMBL9045991 0.73 ACHE (0.50) ACHE
SCHEMBL9302701 0.72 BRS3 (0.45) ACHEBRS3AGTR1AGTR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531876-B1 Imidazoindolizine derivatives and process for preparation thereof TANABE SEIYAKU CO (JP) 1996-12-18 EP disclosed
US-5424316-A Imidazopyridine derivatives for the treatment of hypertension TANABE SEIYAKU CO., LTD. (JP) 1995-06-13 US disclosed
US-5409936-A Useful in prophylaxix; exhibits potent angiotensin ii inhibitory acivities TANABE SEIYAKU CO., LTD. (JP) 1995-04-25 US disclosed
US-5268377-A Imidazoindolizine derivatives process for preparation thereof and use thereof to treat hypertension TANABE SEIYAKU CO., LTD. (JP) 1993-12-07 US disclosed
EP-0531876-A2 Imidazoindolizine derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1993-03-17 EP disclosed
EP-0531874-A1 Imidazopyridine derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1993-03-17 EP disclosed