SCHEMBL4676967

SCHEMBL4676967

Clc1ccc2c(ccn2C2CC[N]CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.47
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM7 Q14831 1/20 0.35
DGAT1 O75907 2/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
OXER1 Q8TDS5 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
CYP11B2 P19099 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
AOC3 Q16853 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL4676971 0.81 SCD (0.45) SCDHTR2AHTR2CKCNH2SLC6A4
SCHEMBL6789672 0.80 SCD (0.55) SCDHTR2AHTR2CKCNH2DRD2
SCHEMBL8111320 0.78 SCD (0.47) SCDHTR2AHTR2CKCNH2DGAT1
SCHEMBL25424472 0.78 SCD (0.41) SCDHTR2AHTR2CSLC6A4OXER1
SCHEMBL8111318 0.76 SCD (0.40) SCDDGAT1HRH3
SCHEMBL25424302 0.76 SCD (0.46) SCDHTR2AHTR2CKCNH2DRD2
SCHEMBL31434262 0.76 SCD (0.46) SCDHTR2AHTR2CKCNH2DRD2
SCHEMBL4991364 0.76 HRH3 (0.47) SCDHTR2AKCNH2DRD2SLC6A4
SCHEMBL4671261 0.75 GAA (0.46) KCNH2DRD2SLC6A4OPRM1OPRL1
SCHEMBL4991313 0.73 SCD (0.41) SCDHTR2AHTR2CKCNH2DRD2

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