SCHEMBL4676876

SCHEMBL4676876

Cc1ccc2c(C3CC[N]CC3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
APP P05067 6/20 0.43
SLC6A4 P31645 4/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 2/20 0.42
ADRB2 P07550 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 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
SCHEMBL4674841 0.88 IDO1 (0.50) IDO1APPSLC6A4HTR2CADRB2
SCHEMBL12367411 0.86 IDO1 (0.54) IDO1APPSLC6A4DRD2HTR2C
SCHEMBL4676883 0.83 HTR2C (0.62) IDO1APPSLC6A4DRD2HTR2C
SCHEMBL12367426 0.83 IDO1 (0.51) IDO1APPSLC6A4DRD2HTR2C
SCHEMBL4675206 0.82 SLC6A4 (0.58) IDO1APPSLC6A4DRD2HTR2C
SCHEMBL4671007 0.82 SLC6A4 (0.59) IDO1APPSLC6A4DRD2HTR2A
SCHEMBL23010845 0.81 APP (0.64) IDO1APPSLC6A4DRD2ADRA1D
SCHEMBL1601125 0.78 HTR2C (0.68) HTR2CADRB2HTR2AADRA1D
SCHEMBL24912879 0.76 IDO1 (0.54) IDO1APPSLC6A4DRD2HTR2A
SCHEMBL21758841 0.76 KDM4E (0.48) IDO1APPSLC6A4DRD2HTR2A

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