SCHEMBL1728756

SCHEMBL1728756

O=C(O)NCC1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.59
ADRB1 P08588 1/20 0.51
RBP4 P02753 2/20 0.51
CETP P11597 1/20 0.51
PKM P14618 2/20 0.50
SLC6A7 Q99884 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
DKK1 O94907 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ACACB O00763 1/20 0.46
KMT2A Q03164 1/20 0.45
TTR P02766 1/20 0.45
CKS1B P61024 1/20 0.44

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
SCHEMBL2324834 0.90 CHRM4 (0.68) CHRM4ADRB1RBP4CETPPKM
SCHEMBL2359980 0.88 CHRM4 (0.61) CHRM4ADRB1RBP4CETPPKM
SCHEMBL3781260 0.87 CETP (0.58) CHRM4ADRB1RBP4CETPPKM
SCHEMBL13082632 0.83 ADRB1 (0.53) CHRM4ADRB1RBP4CETPPKM
SCHEMBL3265549 0.83 CHRM4 (0.50) CHRM4ADRB1RBP4CETPPKM
SCHEMBL13082994 0.83 ADRB1 (0.56) CHRM4ADRB1RBP4CETPPKM
SCHEMBL3644131 0.83 CETP (0.53) CHRM4ADRB1RBP4CETPPKM
SCHEMBL3645357 0.82 CETP (0.58) CHRM4ADRB1RBP4CETPPKM
SCHEMBL3684562 0.82 CETP (0.52) CHRM4RBP4CETPPKMSLC6A7
SCHEMBL2328007 0.82 ADRB1 (0.54) CHRM4ADRB1RBP4PKMSLC6A7

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 4 patents. 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
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed