SCHEMBL7746745

SCHEMBL7746745

CC(C)NC(=O)N(C[C]=O)C(=O)C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.42
MDM2 Q00987 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
CNR2 P34972 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL7746741 1.00 NPC1 (0.47) NPC1L3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL7750236 0.85 NPC1 (0.50) NPC1L3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL7750234 0.85 NPC1 (0.50) NPC1L3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL7748008 0.83 NPC1 (0.51) NPC1L3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL7748010 0.83 NPC1 (0.51) NPC1L3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL7746762 0.83 TUBB4A (0.39) NPC1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7748321 0.82 NOS2 (0.50) L3MBTL1TRPM8
SCHEMBL7748278 0.82 L3MBTL1 (0.47) NPC1L3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL7748602 0.82 MMP1 (0.51) NPC1L3MBTL1ALDH1A1TRPM8HAO1
SCHEMBL7748600 0.82 MMP1 (0.51) NPC1L3MBTL1ALDH1A1TRPM8HAO1

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