SCHEMBL22365342

SCHEMBL22365342

COC(=O)CCc1cccc(OCC2CCNC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 1/20 0.50
EED O75530 1/20 0.45
KDM1A O60341 10/20 0.42
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
RCOR1 Q9UKL0 5/20 0.41
MAOA P21397 2/20 0.41
KDM1B Q8NB78 2/20 0.41
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL22365339 0.94 EED (0.54) SLC6A2SLC6A4SLC6A3EED
SCHEMBL22365416 0.93 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM1ATPSAB1
SCHEMBL22365401 0.91 GLA (0.45) EED
SCHEMBL22365414 0.89 EED (0.43) SLC6A2SLC6A4SLC6A3EEDTPSAB1
SCHEMBL3929685 0.87 KDM5A (0.48)
SCHEMBL22365429 0.82 HRH1 (0.50) EED
SCHEMBL22365312 0.82 ACACB (0.44) SLC6A4
SCHEMBL22365317 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3EEDKDM1A
SCHEMBL17277590 0.80 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3EEDKDM1A
SCHEMBL12075488 0.80 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3EEDKDM1A

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
EP-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed