SCHEMBL4153902

SCHEMBL4153902

Cc1ccnc(C2CCCCC2)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 2/20 0.37
CDC7 O00311 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
LIMK1 P53667 1/20 0.35
OPRL1 P41146 2/20 0.35
LCK P06239 2/20 0.34
JAK3 P52333 2/20 0.34
RET P07949 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL27632867 0.83 GSK3B (0.37) SCN10AKMT2ATDP1KDM4ESMN1; SMN2
SCHEMBL3094967 0.81 RET (0.37) SCN10ACNR2KMT2ATDP1KDM4E
SCHEMBL31214525 0.78 ADORA3 (0.44) CNR1CNR2TDP1SMN1; SMN2NPC1
SCHEMBL3081871 0.77 IRAK4 (0.40) RETOPRM1
SCHEMBL4153906 0.76 SCN10A (0.40) SCN10ACNR1CNR2KMT2ATDP1
SCHEMBL31214487 0.75 ADORA3 (0.44) TDP1KDM4ESMN1; SMN2HTTL3MBTL1
SCHEMBL19691288 0.75 HRH4 (0.36) SCN10AKDM4EGSK3BCDC7LCK
SCHEMBL29210935 0.75 NOS3 (0.41) SCN10AKMT2ATDP1KDM4ESMN1; SMN2
SCHEMBL28002669 0.72 SCN10A (0.41) SCN10AKMT2AKDM4ESMN1; SMN2GSK3B
SCHEMBL4414124 0.72 PARP1 (0.46) KMT2AKDM4ESMN1; SMN2HTTCDC7

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-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed