SCHEMBL9704740

SCHEMBL9704740

CCCCc1nc2ccc(NCCC(=O)C3CCCCC3)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43

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
SCHEMBL9704671 0.96 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9705139 0.93 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9703999 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704276 0.91 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704768 0.90 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9704659 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9704646 0.90 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL9705144 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9705147 0.88 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9705267 0.88 PPARG (0.42) 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