SCHEMBL9704005

SCHEMBL9704005

CCC(=O)Nc1ccc2nc(CC)n(Cc3ccc(-c4ccccc4OC(=O)O)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL9705289 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704417 0.89 SMN1; SMN2 (0.38) AGTR1AGTR2SMN1; SMN2LMNA
SCHEMBL9704983 0.87 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9703997 0.86 PPARG (0.54) AGTR1AGTR2PPARG
SCHEMBL9705132 0.86 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9704654 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704759 0.84 PPARG (0.45) AGTR1AGTR2PPARG
SCHEMBL9705930 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704116 0.82 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9704667 0.81 AGTR1 (0.43) 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