SCHEMBL7748265

SCHEMBL7748265

CCOC(=O)/C=C/c1ccc(N(CCOC)C(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA2 P00918 1/20 0.56
CYP3A4 P08684 1/20 0.50
FDPS P14324 1/20 0.49
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
MAOB P27338 1/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
P2RY12 Q9H244 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 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
SCHEMBL7748268 1.00 CA12 (0.56) CA12CA1CA7CA9CA14
SCHEMBL7748226 0.86 CA12 (0.49) CA12CA1CA7CA9CA14
SCHEMBL7748224 0.86 CA12 (0.49) CA12CA1CA7CA9CA14
SCHEMBL7747920 0.85 THRB (0.49) CA12CA1CA7CA9CA14
SCHEMBL7747922 0.85 THRB (0.49) CA12CA1CA7CA9CA14
SCHEMBL7746909 0.85 CA12 (0.63) CA12CA1CA7CA9CA14
SCHEMBL7746907 0.85 CA12 (0.63) CA12CA1CA7CA9CA14
SCHEMBL7748512 0.84 CA12 (0.47) CA12CA1CA7CA9CA14
SCHEMBL7748510 0.84 CA12 (0.47) CA12CA1CA7CA9CA14
SCHEMBL7747232 0.79 CA12 (0.61) CA12CA1CA7CA9CA14

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 5 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
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN 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