SCHEMBL4672909

SCHEMBL4672909

CCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
PANK3 Q9H999 1/20 0.43
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
GPR119 Q8TDV5 2/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRM1 P11229 1/20 0.37
ADAM10 O14672 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL4672904 1.00 MMP1 (0.46) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4671264 0.89 MMP1 (0.48) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4671268 0.89 MMP1 (0.48) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4677143 0.84 SMN1; SMN2 (0.45) DRD2DRD4KMT2AMMP2MMP9
SCHEMBL4677141 0.84 SMN1; SMN2 (0.45) DRD2DRD4KMT2AMMP2MMP9
SCHEMBL4671636 0.83 ME2 (0.44) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4671640 0.83 ME2 (0.44) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4673508 0.82 MMP1 (0.65) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4673503 0.82 MMP1 (0.65) MMP1PANK3DRD2DRD4GPR119
SCHEMBL4671294 0.82 MMP1 (0.41) MMP1PANK3DRD2DRD4GPR119

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 6 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-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 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