SCHEMBL1729007

SCHEMBL1729007

CNC(CN1CCCN(c2nccc(C(F)(F)F)n2)CC1)CN(CC=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 1/20 0.41
SLC6A7 Q99884 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM4 P08173 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
OGA O60502 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PARP1 P09874 1/20 0.36
ACACB O00763 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1729364 0.78 KMT2A (0.50) PKMKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL1729003 0.75 PKM (0.48) PKMKDM4EKMT2ASLC6A7CA12
SCHEMBL1727891 0.75 ALDH1A1 (0.43) KDM4EKMT2AADRB1ALDH1A1
SCHEMBL1727832 0.74 RAB9A (0.45)
SCHEMBL1729369 0.74 MAPT (0.46) PKMKDM4EKMT2AALDH1A1
SCHEMBL1727884 0.71 HTR1A (0.44) KDM4EKMT2AADRB1ALDH1A1TDP1
SCHEMBL1729313 0.71 PKM (0.55) PKMKDM4EKMT2ASLC6A7CA12
SCHEMBL28070992 0.69 ADRB1 (0.73) PKMKDM4EKMT2ASLC6A7CA12
SCHEMBL3069202 0.69 PKM (0.77) PKMKDM4EKMT2ASLC6A7CA12
SCHEMBL16480406 0.67 HDAC6 (0.51) PKMKDM4ESLC6A7CA12CA1

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