SCHEMBL9704322

SCHEMBL9704322

CCCCc1nc2cc(NC(=O)N(C)C)c(C)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL9704381 0.91 PPARG (0.44)
SCHEMBL9704942 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9704618 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9705987 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9705165 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704792 0.89 AGTR1 (0.49) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9704465 0.89 AGTR1 (0.45) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9704883 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9704320 0.89 AGTR1 (0.63) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9704068 0.86 AGTR1 (0.46) 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