SCHEMBL7012997

SCHEMBL7012997

CCOC(=O)c1ccc(/C=C/C(=O)C(N)c2cccn2-c2ccc(Cl)c(CO)c2Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 16/20 0.35
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7015355 0.89 BDKRB2 (0.37) BDKRB2NPC1RAB9A
SCHEMBL7009603 0.86 BDKRB2 (0.34) BDKRB2
SCHEMBL7007182 0.85 BDKRB2 (0.54) BDKRB2
SCHEMBL7013000 0.81 BDKRB2 (0.52) BDKRB2
SCHEMBL7013009 0.81 BDKRB2 (0.52) BDKRB2
SCHEMBL7667262 0.81 BDKRB2 (0.36) BDKRB2
SCHEMBL7007739 0.80 BDKRB2 (0.59) BDKRB2
SCHEMBL7011175 0.79 BDKRB2 (0.59) BDKRB2
SCHEMBL7012781 0.78 BDKRB2 (0.46) BDKRB2
SCHEMBL7016580 0.78 BDKRB2 (0.40) 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