SCHEMBL8002769

SCHEMBL8002769

CC(=O)NCc1sccc1-c1ccc(C)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.51
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 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
SCHEMBL8014944 0.85 BDKRB2 (0.74) BDKRB2
SCHEMBL8014946 0.85 BDKRB2 (0.74) BDKRB2
SCHEMBL7012193 0.83 BDKRB2 (0.54) BDKRB2CYP3A4CYP2C19
SCHEMBL8002771 0.81 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL8018900 0.80 BDKRB2 (0.47) BDKRB2
SCHEMBL8014941 0.76 BDKRB2 (0.57) BDKRB2
SCHEMBL8018453 0.71 BDKRB2 (0.61) BDKRB2
SCHEMBL6969976 0.70 BDKRB2 (0.77) BDKRB2
SCHEMBL8554602 0.70 BDKRB2 (0.55) BDKRB2
SCHEMBL8015041 0.70 BDKRB2 (0.59) BDKRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed