SCHEMBL4674563

SCHEMBL4674563

N#Cc1ccc2[nH]cc(C3CC[N]CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.64
SLC6A2 P23975 2/20 0.60
SLC6A3 Q01959 2/20 0.60
HTR1A P08908 1/20 0.60
DRD1 P21728 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2A P28223 1/20 0.60
HTR6 P50406 1/20 0.60
IDO1 P14902 1/20 0.53

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
SCHEMBL22439633 0.86 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL2270899 0.86 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL5792377 0.82 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7484043 0.81 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL9093624 0.81 HTR1B (0.66) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7479378 0.81 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8304104 0.81 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3HTR1ADRD1
Ethylene SCHEMBL7484426 0.80 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6342362 0.79 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8103895 0.79 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR1ADRD1

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