SCHEMBL3637985

SCHEMBL3637985

N#Cc1ccccc1-c1csc(C2CCCCN2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.45
IKBKB O14920 1/20 0.44
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.38
ACP1 P24666 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3637982 1.00 BAZ2A (0.45) BAZ2AIKBKBSLC6A2SLC6A4KCNH2
SCHEMBL2308254 0.79 GAA (0.50) BAZ2ASMN1; SMN2CPT2CPT1AKDM4E
SCHEMBL2308250 0.79 GAA (0.50) BAZ2ASMN1; SMN2CPT2CPT1AKDM4E
SCHEMBL2305542 0.78 CYP19A1 (0.47) BAZ2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2305535 0.78 CYP19A1 (0.47) BAZ2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2308438 0.78 HPGDS (0.49) BAZ2AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2308432 0.78 HPGDS (0.49) BAZ2AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2304431 0.77 CPT2 (0.51) BAZ2AIKBKBCYP1A2CPT2CPT1A
SCHEMBL2304427 0.77 CPT2 (0.51) BAZ2AIKBKBCYP1A2CPT2CPT1A
SCHEMBL13209703 0.77 HPGDS (0.43) BAZ2ASMN1; SMN2NPC1RAB9ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed