SCHEMBL13664708

SCHEMBL13664708

O=C1CNCCCC1c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SLC6A3 Q01959 5/20 0.41
SLC6A2 P23975 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 3/20 0.40
MDM2 Q00987 2/20 0.40
DRD2 P14416 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL18616622 0.91 SLC6A3 (0.43) LMNASLC6A3SLC6A2GAAHTT
SCHEMBL13664709 0.81 HTR3A (0.46) SLC6A3SLC6A2
SCHEMBL5556432 0.78 LMNA (0.46) LMNASLC6A3SLC6A2GAAHTT
SCHEMBL13664736 0.74 HTR2A (0.43) SLC6A3SLC6A2TP53ALDH1A1TSHR
SCHEMBL13664705 0.73 TSHR (0.39) SLC6A3SLC6A2GAADRD2ALDH1A1
SCHEMBL3695746 0.73 DRD2 (0.62) SLC6A3SLC6A2DRD2
SCHEMBL13664822 0.72 CYP19A1 (0.34) DRD2
Fumaric Acid SCHEMBL28748009 0.70 SLC6A2 (0.50) SLC6A3SLC6A2DRD2
SCHEMBL2410760 0.68 HTR3A (0.62) SLC6A3SLC6A2DRD2
SCHEMBL6178562 0.68 CHRNB2 (0.53) SLC6A3SLC6A2ALDH1A1HPGD

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