SCHEMBL1729048

SCHEMBL1729048

CNC(CN(CC=O)C(=O)O)N1CCN(c2ccc(-c3ccc(OC)cc3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACACB O00763 3/20 0.38
HDAC2 Q92769 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL1728061 0.91 CACNA1G (0.38) KMT2AHRH3ACACBNPC1RAB9A
SCHEMBL1730220 0.91 EGLN1 (0.45) EGLN1KMT2AACACBNPC1RAB9A
SCHEMBL1728999 0.90 MGLL (0.41) EGLN1ME2ME1ME3KMT2A
SCHEMBL1727900 0.88 EGLN1 (0.41) EGLN1ME2ME1ME3KMT2A
SCHEMBL1729088 0.88 PANK3 (0.39) EGLN1CACNA1HSLC6A7
SCHEMBL1729206 0.84 SLC6A7 (0.42) EGLN1SLC6A7HSD17B10LMNAMAPK1
SCHEMBL1730374 0.84 CNR1 (0.44) HDAC2NPC1RAB9AHSD17B10LMNA
SCHEMBL1728917 0.82 SLC6A7 (0.40) EGLN1SLC6A7
SCHEMBL1729020 0.78 SCN10A (0.38) HRH3CACNA1HPPARA
SCHEMBL1727733 0.77 CNR1 (0.45) KMT2AMEN1HSD17B10LMNATP53

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed