SCHEMBL8312649

SCHEMBL8312649

CCCCNC(=O)N1CC(O)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
TDP1 Q9NUW8 1/20 0.53
NAMPT P43490 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX1 P07099 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8318846 0.86 HTT (0.54) HTTTDP1NAMPTMEN1KMT2A
SCHEMBL18663716 0.82 HTT (0.43) HTTTDP1NAMPTMEN1KMT2A
SCHEMBL19189721 0.82 HTT (0.43) HTTTDP1NAMPTMEN1KMT2A
SCHEMBL12800854 0.80 KMT2A (0.61) HTTMEN1KMT2APOLBMAPK1
SCHEMBL4732560 0.77 HTT (0.69) HTTTDP1NAMPTMEN1KMT2A
SCHEMBL5802069 0.77 HTT (0.69) HTTTDP1NAMPTMEN1KMT2A
SCHEMBL7090664 0.76 HTT (0.54) HTTTDP1NAMPTEPHX1
SCHEMBL7091820 0.76 HTT (0.54) HTTTDP1NAMPTEPHX1
SCHEMBL14105071 0.76 HTT (0.58) HTTTDP1NAMPTMEN1KMT2A
SCHEMBL1627349 0.76 HTT (0.43) HTTTDP1NAMPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP disclosed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed