SCHEMBL7748510

SCHEMBL7748510

CCOC(=O)/C=C/c1ccc(N(CCOC)C(=O)c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.43
FDPS P14324 1/20 0.42
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
MAOB P27338 1/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1B1 Q16678 3/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 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
SCHEMBL7748512 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7746802 0.87 CYP1A1 (0.44) KDM4EMAPTALDH1A1CYP1A1CYP1A2
SCHEMBL7746799 0.87 CYP1A1 (0.44) KDM4EMAPTALDH1A1CYP1A1CYP1A2
SCHEMBL7748265 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7748268 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7748224 0.78 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7748226 0.78 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7748655 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7748650 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1017011 0.76 CA12 (0.68) 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 3 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
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed