SCHEMBL13664861

SCHEMBL13664861

CC1CCNCC(=O)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 1.00
SLC6A4 P31645 11/20 1.00
SLC6A3 Q01959 10/20 1.00
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ADAM17 P78536 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2A1 Q16548 2/20 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
SCHEMBL16480476 0.81 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3ALDH1A1ADAM17
SCHEMBL13735713 0.71 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1ADAM17
SCHEMBL16480426 0.70 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13664863 0.70 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL16480404 0.70 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL16480395 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL13664684 0.69 SLC6A2 (0.91) SLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL16480372 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL4939187 0.66 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL4939192 0.66 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1

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