SCHEMBL8953441

SCHEMBL8953441

CCCCC(=O)Nc1ccn(C(C(=O)N(C)C)c2ccccc2)c(=O)c1NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.38

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
SCHEMBL8953455 0.90
SCHEMBL8953335 0.89
SCHEMBL8953229 0.85
SCHEMBL9263754 0.84 AGTR1 (0.44) BDKRB1
SCHEMBL9479331 0.78 AGTR1 (0.44) BDKRB1
SCHEMBL8081241 0.78 BDKRB1 (0.44) BDKRB1
SCHEMBL9263765 0.74 AGTR1 (0.45)
SCHEMBL7575469 0.73 BDKRB1 (0.44) BDKRB1
SCHEMBL4609709 0.72 LTB4R2 (0.60) BDKRB1
SCHEMBL9263749 0.71 AGTR1 (0.41)

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-5532276-A ANGIOTENSIN II ANTAGONISTS, HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed