SCHEMBL4675631

SCHEMBL4675631

N#CCS(=O)(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.51
HTR2C P28335 2/20 0.48
ADRB2 P07550 1/20 0.48
HTR6 P50406 3/20 0.47
NMT2 O60551 1/20 0.46
NMT1 P30419 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45

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
SCHEMBL2270899 0.76 SLC6A4 (0.67) APPHTR2CADRB2HTR6GABRP
SCHEMBL4671108 0.75 JAK2 (0.45) HTR6HTR1B
SCHEMBL2781047 0.73 HTR2C (0.62) APPHTR2CADRB2HTR6NMT2
SCHEMBL5357785 0.72 APP (0.64) APPHTR2CADRB2HTR6NMT2
SCHEMBL7463335 0.72 APP (0.67) APPHTR2CADRB2HTR6NMT2
Hydrochloric Acid SCHEMBL893002 0.72 HTR2C (0.63) APPHTR2CADRB2HTR6NMT2
SCHEMBL9836911 0.70 HTR2C (0.55) APPHTR2CADRB2HTR6NMT2
SCHEMBL2781509 0.70 HTR2C (0.62) APPHTR2CADRB2HTR6NMT2
SCHEMBL7459828 0.70 HTR2C (0.62) APPHTR2CADRB2HTR6NMT2
SCHEMBL7482397 0.70 HTR1D (0.68) APPHTR2CADRB2HTR6NMT2

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 6 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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed