SCHEMBL9704408

SCHEMBL9704408

CCc1nc2ccc(N3CCCN(C)C3=O)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.36
AGTR2 P50052 3/20 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
SCHEMBL9704468 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9704302 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9705254 0.91 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9705230 0.86 PPARG (0.42) AGTR1AGTR2
SCHEMBL9704384 0.85 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9703940 0.84 PPARG (0.44) AGTR1AGTR2
SCHEMBL9704332 0.84 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9704454 0.83 AGTR2 (0.45) AGTR1AGTR2
SCHEMBL9704319 0.83 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9705311 0.83 PPARG (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed