SCHEMBL7012193

SCHEMBL7012193

CC(=O)NCc1sccc1-c1ccc(C)c(COc2cccc3c(-n4cccn4)cc(C)nc23)c1C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.54
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.40

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
SCHEMBL8002769 0.83 BDKRB2 (0.51) BDKRB2CYP3A4CYP2C19
SCHEMBL7012195 0.82 BDKRB2 (0.55) BDKRB2CYP3A4CYP2C19
SCHEMBL13145016 0.73 BDKRB2 (0.71) BDKRB2CYP3A4CYP2C19
SCHEMBL7014872 0.73 BDKRB2 (0.59) BDKRB2
SCHEMBL6974440 0.71 BDKRB2 (0.76) BDKRB2
SCHEMBL13145015 0.71 BDKRB2 (1.00) BDKRB2
SCHEMBL8724045 0.71 BDKRB2 (0.57) BDKRB2
SCHEMBL13145013 0.71 BDKRB2 (0.78) BDKRB2
SCHEMBL7014874 0.70 BDKRB2 (0.59) BDKRB2
SCHEMBL8014946 0.69 BDKRB2 (0.74) 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 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