SCHEMBL29818263

SCHEMBL29818263

Nc1ccc(C2CCCCC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
TRPC6 Q9Y210 3/20 0.43
CYP11B2 P19099 1/20 0.41
TDO2 P48775 2/20 0.40
FEN1 P39748 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
MIF P14174 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX5AP P20292 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 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
SCHEMBL29817980 0.98 BACE1 (0.43) BACE1TRPC6CYP11B2TDO2FEN1
SCHEMBL15353084 0.89 TRPC6 (0.41) TRPC6
SCHEMBL30621938 0.89 TRPC6 (0.41) TRPC6
SCHEMBL17115628 0.86 GLS (0.49) BACE1TRPC6TDO2FEN1ALOX5AP
SCHEMBL21045972 0.80 HRH4 (0.47) TRPC6HRH4PKMKMT2ATDP1
SCHEMBL14763995 0.80 TRPC6 (0.37) TRPC6
SCHEMBL29836783 0.80 TRPC6 (0.37) TRPC6
Hydrochloric Acid SCHEMBL21045841 0.79 HRH4 (0.46) TRPC6HRH4PKMKMT2ATDP1
SCHEMBL609450 0.77 TRPC6 (0.46) TRPC6
SCHEMBL19292772 0.76 NOTUM (0.47) BACE1FEN1CA1CA2ALOX5AP

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
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed