SCHEMBL8553752

SCHEMBL8553752

O=C(CC(OCc1ccccc1)c1ccccc1)CN1CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.40
SLC6A2 P23975 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL8772451 0.76 LMNA (0.40) KMT2AMEN1LMNAPKML3MBTL1
SCHEMBL10415272 0.76 ALDH1A1 (0.47) KMT2AMEN1LMNAL3MBTL1HTT
SCHEMBL8772395 0.75 LMNA (0.39) KMT2AMEN1LMNASLC6A4SLC6A3
SCHEMBL4466281 0.74 FFAR1 (0.53) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL8766432 0.73 HTT (0.40) KMT2AMEN1LMNAL3MBTL1HTT
SCHEMBL9708647 0.73 ALDH1A1 (0.51) SLC6A2KMT2AMEN1LMNASLC6A3
SCHEMBL8766856 0.72 HTT (0.39) KMT2AMEN1LMNAHTTPOLB
SCHEMBL8552278 0.72 HMOX1 (0.48) LMNAL3MBTL1HTT
SCHEMBL8766787 0.72 HTT (0.39) KMT2AMEN1LMNAHTTCYP2C9
SCHEMBL6631553 0.71 ALDH1A1 (0.49) KMT2AMEN1CYP2D6CYP2C9CYP2C19

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-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed