SCHEMBL7750207

SCHEMBL7750207

COc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(C)=O)c4)c3Cl)cccc12

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 19/20 0.72

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
Hydrochloric Acid SCHEMBL7746474 0.99 BDKRB2 (0.72) BDKRB2
SCHEMBL7749715 0.94 BDKRB2 (0.70) BDKRB2
Hydrochloric Acid SCHEMBL7746915 0.94 BDKRB2 (0.71) BDKRB2
SCHEMBL7746795 0.94 BDKRB2 (0.75) BDKRB2
Hydrochloric Acid SCHEMBL7749734 0.93 BDKRB2 (0.75) BDKRB2
SCHEMBL7742876 0.91 BDKRB2 (0.87) BDKRB2
Hydrochloric Acid SCHEMBL7742393 0.91 BDKRB2 (0.87) BDKRB2
SCHEMBL7748266 0.91 BDKRB2 (0.68) BDKRB2
Hydrochloric Acid SCHEMBL7748116 0.89 BDKRB2 (0.65) BDKRB2
SCHEMBL7742467 0.88 BDKRB2 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed