SCHEMBL4670822

SCHEMBL4670822

c1ccc(-c2c[nH]c(C3CC[N]CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.40
ADORA1 P30542 5/20 0.40
ADORA2B P29275 2/20 0.40
ADORA2A P29274 4/20 0.39
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDGFRB P09619 1/20 0.33
HSD11B1 P28845 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HPGDS O60760 1/20 0.31

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
SCHEMBL242610 0.85 ADORA1 (0.52) ADORA3ADORA1ADORA2BADORA2ARAB9A
SCHEMBL312409 0.84 SLC18A3 (0.50) ADORA3ADORA1ADORA2BADORA2AMEN1
Hydrochloric Acid SCHEMBL1653372 0.83 SLC18A3 (0.49) ADORA3ADORA1ADORA2BADORA2AMEN1
Hydrochloric Acid SCHEMBL311386 0.83 SLC18A3 (0.49) ADORA3ADORA1ADORA2BADORA2AMEN1
SCHEMBL6166041 0.81 SLC18A3 (0.47) ADORA3ADORA1ADORA2BMEN1KMT2A
SCHEMBL22931042 0.81 ADORA1 (0.49) ADORA3ADORA1ADORA2BADORA2ARAB9A
SCHEMBL19657007 0.80 ADORA1 (0.48) ADORA3ADORA1ADORA2BADORA2ARAB9A
Hydrochloric Acid SCHEMBL6806273 0.80 SLC18A3 (0.46) ADORA3ADORA1ADORA2BMEN1KMT2A
SCHEMBL19657010 0.80 ADORA1 (0.48) ADORA3ADORA1ADORA2BADORA2ARAB9A
SCHEMBL408754 0.79 NPC1 (0.55) ADORA3ADORA1ADORA2ARAB9ANPC1

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