SCHEMBL9045751

SCHEMBL9045751

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
AGTR1 P30556 5/20 0.40
AGTR2 P50052 5/20 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
SCHEMBL9583340 0.86 AGTR1 (0.41) PPARGAGTR1AGTR2
SCHEMBL9046866 0.84 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9045732 0.82 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL9141104 0.81 AGTR1 (0.44) PPARGAGTR1AGTR2
SCHEMBL9045634 0.81 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9047004 0.81 AGTR1 (0.41) PPARGAGTR1AGTR2
SCHEMBL9043684 0.80 AGTR1 (0.43) PPARGAGTR1AGTR2
SCHEMBL9043884 0.79 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL9558461 0.79 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL9146900 0.78 AGTR1 (0.45) PPARGAGTR1AGTR2

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