SCHEMBL13664718

SCHEMBL13664718

CN1CC(=O)N(c2ccc(Cl)c(Cl)c2)CC2(CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.60
SLC6A4 P31645 11/20 0.60
SLC6A3 Q01959 8/20 0.59
CTSG P08311 2/20 0.42
CMA1 P23946 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
BCL2 P10415 1/20 0.39
ALOX12 P18054 1/20 0.39
BID P55957 1/20 0.39
RAD51 Q06609 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L2 Q92843 1/20 0.39

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
SCHEMBL13664798 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL13665268 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CTSGCMA1
SCHEMBL13664676 0.69 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL13664856 0.67 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CTSGCMA1
SCHEMBL13664866 0.66 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL9819272 0.66 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CTSGCMA1
SCHEMBL11817169 0.65 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CTSGCMA1
SCHEMBL6028720 0.64 KMT2A (0.53) SLC6A2SLC6A4CTSGCMA1MEN1
SCHEMBL1779650 0.64 ADRB1 (0.53) SLC6A2SLC6A4MEN1KMT2AHTR1A
SCHEMBL9078206 0.64 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed