SCHEMBL7361407

SCHEMBL7361407

[2H]C1([2H])CN(CCOCc2ccccc2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.48
LTA4H P09960 1/20 0.47
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TEAD3 Q99594 2/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AOC3 Q16853 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
SCHEMBL7338392 0.89 PKM (0.45) PKMLTA4HGAAMEN1KMT2A
SCHEMBL16698725 0.85 PKM (0.53) PKMLTA4HGAAMEN1KMT2A
SCHEMBL1446252 0.83 LTA4H (0.50) PKMLTA4HGAAMEN1KMT2A
SCHEMBL3019770 0.78 PKM (0.49) PKMLTA4HGAAMEN1KMT2A
SCHEMBL25035706 0.77 PKM (0.56) PKMLTA4HGAAMEN1KMT2A
SCHEMBL7279696 0.74 PKM (0.63) PKMLTA4HGAAMEN1KMT2A
SCHEMBL2075307 0.73 PKM (0.53) PKMLTA4HGAAMEN1KMT2A
SCHEMBL27363764 0.73 PKM (0.56) PKMLTA4HGAAMEN1KMT2A
SCHEMBL9145422 0.72 PKM (0.52) PKMLTA4HGAAMEN1KMT2A
SCHEMBL21384057 0.72 PKM (0.62) PKMLTA4HGAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726898-B1 PHENYLINDOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2000-12-20 EP disclosed
US-5703087-A PSYCHOLOGICAL DISORDERS H. LUNDBECK A/S (DK) 1997-12-30 US disclosed
EP-0726898-A1 PHENYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-08-21 EP disclosed
WO-1995012591-A1 PHENYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1995-05-11 WO disclosed