SCHEMBL3720928

SCHEMBL3720928

[CH2]Cc1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 5/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
ACACA Q13085 1/20 0.36
KCNH2 Q12809 6/20 0.36
HTR3A P46098 2/20 0.36
TEC P42680 1/20 0.36
MCHR1 Q99705 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ACACB O00763 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL3726999 0.88 GPR4 (0.39) SCN7ASLC6A2SLC6A4SLC6A3ACACA
SCHEMBL3720089 0.86 TEC (0.37) SCN7ASLC6A2SLC6A4SLC6A3ACACA
SCHEMBL3719580 0.86 ACACB (0.38) SCN7ASLC6A2SLC6A4SLC6A3ACACA
SCHEMBL3717025 0.81 PARP10 (0.40) SCN7AKCNH2PARP15PARP10ACACB
SCHEMBL3722876 0.81 ACACB (0.41) SCN7AKCNH2PARP15PARP10ACACB
SCHEMBL3721867 0.80 SCN7A (0.37) SCN7ASLC6A2SLC6A4SLC6A3ACACA
SCHEMBL3719950 0.79 MTNR1A (0.38) SCN7AACACAKCNH2MCHR1ACACB
SCHEMBL3720199 0.79 MTNR1A (0.52) ACACAMCHR1ACACB
SCHEMBL3727742 0.78 P2RX3 (0.40) SCN7AACACAKCNH2PARP15PARP10
SCHEMBL3720087 0.78 MAPT (0.38) SCN7ASLC6A2SLC6A4SLC6A3ACACA

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed