SCHEMBL4677803

SCHEMBL4677803

COC(=O)C(CCc1ccccc1)NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.42
DRD2 P14416 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 2/20 0.41
PANK3 Q9H999 1/20 0.40
ME2 P23368 2/20 0.40
ME1 P48163 2/20 0.40
ME3 Q16798 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 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
SCHEMBL4677805 1.00 DRD4 (0.42) DRD4DRD2RAB9AALDH1A1LMNA
SCHEMBL7447552 0.87 HDAC1 (0.43) DRD4DRD2RAB9AALDH1A1LMNA
SCHEMBL4673464 0.82 RORC (0.42) DRD4DRD2RAB9AALDH1A1LMNA
SCHEMBL4673472 0.82 RORC (0.42) DRD4DRD2RAB9AALDH1A1LMNA
SCHEMBL4671050 0.79 MMP1 (0.52) DRD4DRD2RAB9APANK3PPARG
SCHEMBL4671045 0.79 MMP1 (0.52) DRD4DRD2RAB9APANK3PPARG
SCHEMBL4672904 0.76 MMP1 (0.46) DRD4DRD2RAB9APANK3KMT2A
SCHEMBL4672909 0.76 MMP1 (0.46) DRD4DRD2RAB9APANK3KMT2A
SCHEMBL4813294 0.76 DRD2 (0.42) DRD4DRD2ALDH1A1TSHRKDM4E
SCHEMBL4671268 0.75 MMP1 (0.48) DRD4DRD2RAB9AALDH1A1PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed