SCHEMBL7014780

SCHEMBL7014780

CC(=O)Nc1ccc(C=CC(=O)NCc2sccc2-c2cc(CO[SiH](c3ccccc3)c3ccccc3)c(C)c(C(C)(C)C)c2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 13/20 0.38
DEGS1 O15121 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7012873 0.86 BDKRB2 (0.48) BDKRB2ALDH1A1
SCHEMBL7015727 0.83 METAP2 (0.32)
SCHEMBL7009637 0.76 BDKRB2 (0.37) BDKRB2DEGS1ALDH1A1
SCHEMBL8719999 0.75 BDKRB2 (0.46) BDKRB2KDM4EALDH1A1
SCHEMBL7014777 0.74 BDKRB2 (0.48) BDKRB2
SCHEMBL7014771 0.74 BDKRB2 (0.48) BDKRB2
SCHEMBL7011417 0.73 BDKRB2 (0.47) BDKRB2
SCHEMBL7005487 0.73
SCHEMBL7009008 0.72 BDKRB2 (0.49) BDKRB2KDM4EALDH1A1
SCHEMBL7008996 0.72 BDKRB2 (0.49) BDKRB2KDM4EALDH1A1

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