SCHEMBL7854089

SCHEMBL7854089

CNC(CCOc1ccc(NS(C)(=O)=O)cc1)c1cc(C(CCOc2ccc(NS(C)(=O)=O)cc2)NC)cc(C(CCOc2ccc(NS(C)(=O)=O)cc2)NC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KCNH2 Q12809 2/20 0.48
ACHE P22303 2/20 0.48
CACNA1F O60840 1/20 0.48
CHRM2 P08172 1/20 0.48
AGTR1 P30556 1/20 0.48
DRD3 P35462 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AR P10275 1/20 0.48
LTA4H P09960 1/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
GRIN1 Q05586 4/20 0.46
GRIN2B Q13224 4/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL25902244 0.80 NPC1 (0.65) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL6269286 0.76 NPC1 (0.60) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL9389817 0.75 NPC1 (0.67) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL14113144 0.75 NPC1 (0.93) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL9733253 0.74 NPC1 (0.69) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL9732793 0.73 NPC1 (0.73) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL9123987 0.73 NPC1 (0.69) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL6575574 0.73 NPC1 (0.69) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL5145130 0.73 NPC1 (0.69) NPC1RAB9AKCNH2ACHECACNA1F
SCHEMBL92225 0.73 NPC1 (0.69) NPC1RAB9AKCNH2ACHECACNA1F

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086063-A4 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2001-03-28 EP disclosed
EP-1086063-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999064050-A9 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2000-04-20 WO disclosed
WO-1999064050-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed