SCHEMBL7747993

SCHEMBL7747993

O=[C]CNC(=O)CNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
RECQL P46063 1/20 0.49
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
MCL1 Q07820 1/20 0.46
GID4 Q8IVV7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BCHE P06276 1/20 0.44
MEP1B Q16820 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43
NPY5R Q15761 1/20 0.43
MGLL Q99685 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
SCHEMBL7749669 0.84 GAA (0.63) ALDH1A1RECQLKDM4EGAAHTT
SCHEMBL10382127 0.83 ALDH1A1 (0.53) ALDH1A1RECQLKDM4EGAAHTT
SCHEMBL30074498 0.81 ALDH1A1 (0.54) ALDH1A1RECQLKDM4EGAAHTT
SCHEMBL10380701 0.80 ALDH1A1 (0.50) ALDH1A1RECQLKDM4EGAAHTT
SCHEMBL5449997 0.79 MEN1 (0.57) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL4049756 0.79 ALDH1A1 (0.55) ALDH1A1RECQLKDM4EGAAHTT
SCHEMBL13073335 0.78 EPHX1 (0.62) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL691630 0.78 MEN1 (0.56) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5105467 0.78 ALDH1A1 (0.48) ALDH1A1RECQLKDM4EGAAHTT
SCHEMBL7749740 0.77 SMN1; SMN2 (0.66) ALDH1A1GAAMAPTMCL1MEN1

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 13 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-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US 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-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 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
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 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