SCHEMBL4673530

SCHEMBL4673530

O=CN1CCN(C2CC(c3c[nH]c4ccc(F)cc34)CC[N]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.53
HTR1A P08908 6/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HSD11B1 P28845 3/20 0.44
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44

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
SCHEMBL8109654 0.86 SLC6A4 (0.68) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4671288 0.82 SLC6A4 (0.50) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4671600 0.82 SLC6A4 (0.49) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4673535 0.81 OPRM1 (0.56) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL7316005 0.81 SLC6A4 (0.48) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4673257 0.80 HSD11B1 (0.54) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4672939 0.75 OPRM1 (0.50) SLC6A4HTR1ADRD1HTR2AOPRM1
SCHEMBL4677237 0.74 SLC6A4 (0.50) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL8096606 0.74 SLC6A4 (0.50) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL8149530 0.74 SLC6A4 (0.51) SLC6A4HTR1AHTR1BOPRM1OPRK1

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 3 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