SCHEMBL4674485

SCHEMBL4674485

c1ccc2[nH]c(N3CC[N]CC3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.73
ACHE P22303 2/20 0.73
HTR3A P46098 2/20 0.71
TP53 P04637 2/20 0.69
TRPC3 Q13507 1/20 0.65
MAPT P10636 2/20 0.61
RAB9A P51151 1/20 0.61
SORD Q00796 1/20 0.53
HTR2B P41595 1/20 0.52
NPY5R Q15761 2/20 0.51
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL2676103 0.86 BCHE (0.96) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674037 0.86 BCHE (0.90) BCHEACHEHTR3ATP53TRPC3
SCHEMBL717865 0.84 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2241920 0.84 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL531762 0.83 HTR3A (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL5309716 0.81 BCHE (0.71) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674838 0.81 TP53 (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL21047636 0.80 BCHE (0.69) BCHEACHEHTR3ATP53TRPC3
SCHEMBL22481379 0.80 TRPC3 (0.75) BCHEACHEHTR3ATP53TRPC3
SCHEMBL8880315 0.80 HTR3A (0.82) BCHEACHEHTR3ATP53TRPC3

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