SCHEMBL4674804

SCHEMBL4674804

c1ccc(C(c2ccccc2)C2CC[N]CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP19A1 P11511 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRD1 P41143 1/20 0.37
BACE1 P56817 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL9253016 0.89 MRGPRX1 (0.40)
SCHEMBL9253506 0.89 IDO1 (0.41) IDO1OPRD1
SCHEMBL9668878 0.89 OPRD1 (0.40) GAAL3MBTL1OPRD1MGLL
SCHEMBL9251016 0.85 ALDH1A1 (0.44) OPRD1MGLL
SCHEMBL677532 0.84 IDO1 (0.52) IDO1CHRNB4CHRNA3CYP19A1GAA
SCHEMBL8674414 0.84 IDO1 (0.52) IDO1CHRNB4CHRNA3CYP19A1GAA
SCHEMBL8116971 0.83 ALDH1A1 (0.40) IDO1GAAL3MBTL1
SCHEMBL9668868 0.82 ACP3 (0.38) GAAOPRD1
SCHEMBL9253500 0.82 IDO1 (0.40) IDO1OPRD1
SCHEMBL9253011 0.82 IDO1 (0.39) IDO1CYP19A1GAAOPRD1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US claimed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP claimed
JP-6329665-A None JP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
JP-2002187880-A NITROGEN-CONTAINING COMPOUND AND CCR3 INHIBITOR COMPRISING THE SAME AS ACTIVE INGREDIENT TORAY IND INC 2002-07-05 JP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
WO-2002026708-A1 NITROGEN-CONTAINING COMPOUNDS AND CCR3 INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-04-04 WO disclosed
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed
JP-H06329665-A NOVEL SUBSTITUTED BENZODIOXINS, THEIR PREPARATION AND MEDICAL COMPOSITION CONTAINING THEM ADIR 1994-11-29 JP disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed