SCHEMBL4777439

SCHEMBL4777439

COCCN(C(=O)c1cc(OC)cc(OC)c1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 4/20 0.40
SMYD3 Q9H7B4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
REN P00797 3/20 0.39
MBTPS1 Q14703 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 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
SCHEMBL4887586 0.78 GPR119 (0.53) ALDH1A1KMT2AMEN1
SCHEMBL9654218 0.76 SLC6A4 (0.44) SLC6A4KCNH2SLC6A2SLC6A3KMT2A
SCHEMBL296666 0.75 SLC6A4 (0.44) SLC6A4KCNH2SLC6A2SLC6A3ALDH1A1
SCHEMBL14291229 0.74 MCHR1 (0.56) KMT2A
SCHEMBL4725472 0.72 ALDH1A1 (0.47) SMYD3ALDH1A1KMT2AMEN1EGLN1
SCHEMBL4725477 0.72 C5AR1 (0.43) ALDH1A1KMT2AEGLN1
SCHEMBL14290711 0.72 ALDH1A1 (0.51) ALDH1A1KMT2AEGLN1
SCHEMBL4591868 0.71 CNR1 (0.41) SLC6A4KCNH2SLC6A2SLC6A3REN
SCHEMBL4660108 0.69 SLC6A4 (0.42) SLC6A4KCNH2SLC6A2SLC6A3KMT2A
SCHEMBL13434672 0.69 REN (0.53) SLC6A4SLC6A2REN

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-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed