SCHEMBL7742895

SCHEMBL7742895

CCOC(=O)C=Cc1ccc(N(C(C)=O)c2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CYP3A4 P08684 1/20 0.51
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
MAOB P27338 1/20 0.46
FDPS P14324 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ESR1 P03372 1/20 0.41
P2RY12 Q9H244 1/20 0.41
CCNC P24863 1/20 0.41

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
SCHEMBL1017013 0.84 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1017011 0.84 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL7748650 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7748655 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7742836 0.82 HCAR2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7748420 0.82 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7747232 0.80 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.80 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.80 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.80 CA12 (0.86) CA12CA1CA2CA7CA9

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