SCHEMBL7749841

SCHEMBL7749841

CCOC(=O)/C=C/c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TTR P02766 1/20 0.48
DPP4 P27487 1/20 0.48
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 3/20 0.45
MAOB P27338 1/20 0.44
ACHE P22303 1/20 0.43
FDPS P14324 1/20 0.43

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
SCHEMBL7749847 1.00 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL8565879 0.96 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8565875 0.96 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL20153691 0.86 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL20153748 0.82 NPC1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL6965731 0.80 ALDH1A1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL6965728 0.80 ALDH1A1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL6074457 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6074451 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL20153752 0.79 TTR (0.45) 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 10 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-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US 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