SCHEMBL9045732

SCHEMBL9045732

CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CN(C(=O)CC#N)C(C(=O)OC)C2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.42
AGTR2 P50052 6/20 0.42
PPARG P37231 2/20 0.40

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
SCHEMBL9583352 0.88 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL9047004 0.85 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9046859 0.85 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9045623 0.82 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL9045751 0.82 PPARG (0.41) AGTR1AGTR2PPARG
Hydrochloric Acid SCHEMBL9043804 0.81 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9044393 0.80 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9043884 0.79 AGTR1 (0.47) AGTR1AGTR2PPARG
Hydrochloric Acid SCHEMBL9045025 0.77 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9044575 0.77 AGTR1 (0.40) 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 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