SCHEMBL1730253

SCHEMBL1730253

NC(=O)CN(CC1CCN(c2nccc(C(F)(F)F)n2)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.49
RBP4 P02753 2/20 0.46
ADRB1 P08588 1/20 0.46
PKM P14618 2/20 0.45
SLC6A7 Q99884 1/20 0.45
PARP1 P09874 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 1/20 0.41
TTR P02766 1/20 0.41
LCAT P04180 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
ACACB O00763 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL1730046 0.82 DKK1 (0.49) KDM4E
SCHEMBL346096 0.78 CHRM4 (0.43) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL2834267 0.77 ADRB1 (0.61) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL1729795 0.76 LMNA (0.60) CHRM4PKMCHRM2KMT2AKDM4E
SCHEMBL346219 0.76 CHRM4 (0.45) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL1728756 0.76 CHRM4 (0.59) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL2330983 0.76 ADRB1 (0.53) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL2330479 0.75 ADRB1 (0.53) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL2324834 0.75 CHRM4 (0.68) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL895533 0.75 KDM4E (0.60) CHRM4RBP4ADRB1PKMSLC6A7

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