SCHEMBL4671600

SCHEMBL4671600

COC(=O)N1CCN(C2CC(c3c[nH]c4ccc(F)cc34)CC[N]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.49
HSD11B1 P28845 4/20 0.47
HTR1A P08908 3/20 0.47
HTR1B P28222 2/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HTR1D P28221 1/20 0.42
HTR1F P30939 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7316005 0.88 SLC6A4 (0.48) SLC6A4HSD11B1HTR1AHTR1BDRD1
SCHEMBL4673257 0.83 HSD11B1 (0.54) SLC6A4HSD11B1HTR1AHTR1BDRD1
SCHEMBL4671603 0.83 HSD11B1 (0.56) SLC6A4HSD11B1HTR1AHTR1BHTR1D
SCHEMBL8109654 0.82 SLC6A4 (0.68) SLC6A4HSD11B1HTR1AHTR1BDRD1
SCHEMBL4673530 0.82 SLC6A4 (0.53) SLC6A4HSD11B1HTR1AHTR1BDRD1
SCHEMBL4671288 0.80 SLC6A4 (0.50) SLC6A4HSD11B1HTR1AHTR1BDRD1
SCHEMBL4674034 0.75 SLC6A4 (0.50) SLC6A4HTR1AHTR1BDRD1SLC6A2
SCHEMBL4675431 0.74 SLC6A4 (0.52) SLC6A4HTR1AHTR1BDRD1SLC6A2
SCHEMBL8105710 0.74 MTNR1A (0.53) SLC6A4HSD11B1HTR1AHTR2AALDH1A1
SCHEMBL8106283 0.74 ALDH1A1 (0.47) SLC6A4HTR1AHTR1BHTR1DHTR1F

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