SCHEMBL9704711

SCHEMBL9704711

CCCCc1nc2cnc(N(CCCC)C(=O)C(C)C)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.46
AGTR1 P30556 4/20 0.46
PPARG P37231 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
SCHEMBL9704378 0.89 AGTR2 (0.48) AGTR2AGTR1PPARG
SCHEMBL9704708 0.89 AGTR2 (0.60) AGTR2AGTR1PPARG
SCHEMBL9704774 0.83 AGTR1 (0.51) AGTR2AGTR1PPARG
SCHEMBL9704677 0.83 AGTR1 (0.51) AGTR2AGTR1PPARG
SCHEMBL9704660 0.81 AGTR1 (0.49) AGTR2AGTR1PPARG
SCHEMBL9704666 0.81 AGTR1 (0.49) AGTR2AGTR1PPARG
SCHEMBL9704719 0.80 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9704742 0.80 AGTR1 (0.55) AGTR2AGTR1PPARG
SCHEMBL9705151 0.80 AGTR1 (0.48) AGTR2AGTR1PPARG
SCHEMBL9704075 0.79 AGTR1 (0.50) AGTR2AGTR1PPARG

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