SCHEMBL7750195

SCHEMBL7750195

CCOC(=O)/C=C/c1ccc(N(Cc2cccnc2)C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 4/20 0.46
TBXAS1 P24557 2/20 0.46
LMNA P02545 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL7750198 1.00 CYP3A4 (0.50) CYP3A4MEN1KMT2ACA12CA1
SCHEMBL7748671 0.90 MEN1 (0.49) CYP3A4MEN1KMT2ACA12CA1
SCHEMBL7748677 0.90 MEN1 (0.49) CYP3A4MEN1KMT2ACA12CA1
SCHEMBL7748655 0.86 CA12 (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL7748650 0.86 CA12 (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL7748091 0.86 TBXAS1 (0.62) CYP3A4MEN1KMT2AMAPK1NPSR1
SCHEMBL7748094 0.86 TBXAS1 (0.62) CYP3A4MEN1KMT2AMAPK1NPSR1
SCHEMBL11066167 0.82 TBXAS1 (0.68) CYP3A4MEN1KMT2ACA12CA1
SCHEMBL10752973 0.82 TBXAS1 (0.68) CYP3A4MEN1KMT2ACA12CA1
SCHEMBL7747790 0.79 CA12 (0.49) CYP3A4CA12CA1CA2CA7

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 8 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
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 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
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed