SCHEMBL9705311

SCHEMBL9705311

CCCCc1nc2ccc(N3CCCN(Cc4ccc(OC)cc4)C3=O)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
AGTR1 P30556 3/20 0.40
AGTR2 P50052 3/20 0.40
ALDH1A1 P00352 1/20 0.40
EDNRA P25101 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9704384 0.95 AGTR1 (0.43) PPARGAGTR1AGTR2
SCHEMBL9704332 0.94 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9704724 0.92 PPARG (0.44) PPARGAGTR1AGTR2
SCHEMBL9705230 0.91 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL9704302 0.90 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL9704636 0.89 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL9705254 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9704422 0.87 AGTR2 (0.44) PPARGAGTR1AGTR2
SCHEMBL9704745 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9704468 0.85 AGTR1 (0.41) PPARGAGTR1AGTR2

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