SCHEMBL9047004

SCHEMBL9047004

CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(C(=O)OC)N(C(=O)CC#N)CC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.41
AGTR2 P50052 7/20 0.41
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
SCHEMBL9043684 0.91 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9141104 0.91 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9044575 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9047774 0.90 PPARG (0.42) AGTR1AGTR2PPARG
SCHEMBL9044302 0.90 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9146900 0.89 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL8806573 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9140280 0.86 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9142522 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9045732 0.85 AGTR1 (0.42) AGTR1AGTR2PPARG

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