SCHEMBL7012272

SCHEMBL7012272

CC(=O)Nc1cccc(-c2ccc(C)c(COc3cccc4c(-n5ccnc5)cc(C)nc34)c2C)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 15/20 0.56
RORC P51449 3/20 0.47
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP3A4 P08684 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
SCHEMBL7014202 0.85 BDKRB2 (0.60) BDKRB2
SCHEMBL7014199 0.85 BDKRB2 (0.60) BDKRB2
SCHEMBL8018900 0.81 BDKRB2 (0.47) BDKRB2
SCHEMBL7016917 0.80 BDKRB2 (0.49) BDKRB2
SCHEMBL8724025 0.76 BDKRB2 (0.58) BDKRB2RORC
SCHEMBL13145018 0.76 BDKRB2 (0.72) BDKRB2RORC
SCHEMBL7007131 0.75 BDKRB2 (0.61) BDKRB2RORC
SCHEMBL13145764 0.74 BDKRB2 (0.66) BDKRB2RORCCYP3A4
SCHEMBL13145034 0.73 BDKRB2 (0.61) BDKRB2RORC
SCHEMBL13145507 0.73 BDKRB2 (0.66) BDKRB2RORCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed