SCHEMBL9054292

SCHEMBL9054292

CCc1nc(CCN2C(=O)c3ccccc3C2=O)c(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
BRS3 P32247 9/20 0.39
ADORA3 P0DMS8 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL9248272 0.90 BRS3 (0.38) BRS3AGTR1AGTR2
SCHEMBL9043004 0.87 BRS3 (0.42) ACHEBRS3AGTR1AGTR2
SCHEMBL9045987 0.81 ACHE (0.42) ACHEBRS3AGTR1AGTR2
SCHEMBL9054291 0.75 ACHE (0.50) ACHEAGTR1AGTR2
SCHEMBL9248176 0.74 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL1257997 0.74 ACHE (0.57) ACHE
SCHEMBL8992690 0.73 PPARG (0.44) ACHEBRS3AGTR1AGTR2
SCHEMBL9044849 0.73 BRS3 (0.45) ACHEBRS3AGTR1AGTR2
SCHEMBL8671888 0.70 ACHE (0.49) ACHEBRS3AGTR1AGTR2
SCHEMBL8802322 0.69 ACHE (0.49) 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 3 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-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