SCHEMBL9705252

SCHEMBL9705252

CCCCc1nc2ccc(NCC)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
PPARG P37231 1/20 0.48

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
SCHEMBL9704743 0.94 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9704922 0.93 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704116 0.92 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9704807 0.91 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9704078 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9705289 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9705955 0.90 AGTR2 (0.48) AGTR1AGTR2
SCHEMBL9704654 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704065 0.89 TLR7 (0.49) AGTR1AGTR2
SCHEMBL9704858 0.89 AGTR1 (0.47) 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