SCHEMBL9703976

SCHEMBL9703976

CCCCc1nc2ccc(N(CCCC)C(=O)OCC)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
PPARG P37231 3/20 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
SCHEMBL9705935 0.92 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9705151 0.91 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9704335 0.88 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9705172 0.86 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9705168 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9705148 0.85 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL9040068 0.85 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9704691 0.84 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9705117 0.84 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9705897 0.84 AGTR1 (0.49) 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 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