SCHEMBL4671007

SCHEMBL4671007

Fc1ccc2c(C3CC[N]CC3)c[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.59
DRD2 P14416 4/20 0.59
ADRA1D P25100 3/20 0.56
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
HTR2A P28223 5/20 0.52
IDO1 P14902 1/20 0.50
HTR1A P08908 2/20 0.48
ADRA1B P35368 1/20 0.48
APP P05067 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HTR7 P34969 2/20 0.44
KCNH2 Q12809 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
SCHEMBL4676670 0.88 SLC6A4 (0.58) SLC6A4OPRM1OPRL1HTR2AIDO1
SCHEMBL2904310 0.83 HTR2A (0.64) SLC6A4DRD2ADRA1DOPRM1OPRL1
SCHEMBL30275187 0.83 HTR2A (0.64) SLC6A4DRD2ADRA1DOPRM1OPRL1
Hydrochloric Acid SCHEMBL6248133 0.82 HTR2C (0.63) SLC6A4DRD2ADRA1DOPRM1OPRL1
SCHEMBL4675206 0.82 SLC6A4 (0.58) SLC6A4DRD2OPRM1OPRL1IDO1
SCHEMBL4676876 0.82 IDO1 (0.50) SLC6A4DRD2ADRA1DHTR2AIDO1
SCHEMBL4354945 0.81 SLC6A4 (0.61) SLC6A4DRD2ADRA1DOPRM1OPRL1
SCHEMBL6636763 0.81 DRD2 (0.57) SLC6A4DRD2ADRA1DOPRM1OPRL1
SCHEMBL31295173 0.80 HTR2A (0.59) SLC6A4DRD2ADRA1DOPRM1OPRL1
SCHEMBL18324781 0.79 DRD2 (0.59) SLC6A4DRD2ADRA1DOPRM1OPRL1

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