SCHEMBL9141019

SCHEMBL9141019

CCCCc1nc(Cl)c(CO)n1Cc1ccc(C(C(=O)NCCC(O)c2ccccc2)C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.51
AGTR2 P50052 2/20 0.51
MME P08473 2/20 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
SCHEMBL9140461 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7839345 0.84 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9010408 0.78 AGTR2 (0.55) AGTR1AGTR2
SCHEMBL9279927 0.77 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9142986 0.76 AGTR1 (0.51) AGTR1AGTR2MME
SCHEMBL8636053 0.75 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL7839692 0.74 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL9010373 0.74 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9010365 0.73 AGTR1 (0.51) AGTR1AGTR2MME
SCHEMBL8634380 0.73 AGTR2 (0.45) AGTR1AGTR2MME

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
US-5420149-A Hypotensive agents and artheriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US claimed