SCHEMBL5352804

SCHEMBL5352804

C/C(=N/OCc1ccccn1)C1CCC(N)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SYK P43405 3/20 0.34
PKM P14618 1/20 0.34
AURKB Q96GD4 2/20 0.33
INCENP Q9NQS7 2/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5352809 1.00 PARP10 (0.35) PARP10L3MBTL1NPC1LMNARAB9A
SCHEMBL15865998 0.74 SMN1; SMN2 (0.46) PARP10L3MBTL1NPC1LMNARAB9A
SCHEMBL9945281 0.73 SMN1; SMN2 (0.43) PARP10L3MBTL1NPC1LMNARAB9A
SCHEMBL25119945 0.72 L3MBTL1 (0.44) PARP10L3MBTL1NPC1LMNARAB9A
SCHEMBL9944318 0.69 NPC1 (0.42) PARP10L3MBTL1NPC1LMNARAB9A
SCHEMBL6820484 0.69 SYK (0.39) PARP10SMN1; SMN2SYKAURKBINCENP
SCHEMBL17592449 0.66 HRH1 (0.42) L3MBTL1SMN1; SMN2
SCHEMBL11280500 0.65 SMN1; SMN2 (0.54) PARP10L3MBTL1NPC1LMNARAB9A
SCHEMBL9945448 0.63 SMN1; SMN2 (0.43) PARP10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL14075065 0.62 SMN1; SMN2 (0.45) PARP10NPC1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007099385-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR COMPOUNDS AND COMPOSITIONS GLENMARK PHARMACEUTICALS S.A. (US) 2007-09-07 WO claimed