SCHEMBL2359980

SCHEMBL2359980

O=C(O)NCCCC1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.61
HDAC6 Q9UBN7 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
RBP4 P02753 2/20 0.48
ADRB1 P08588 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
PKM P14618 2/20 0.47
SLC6A7 Q99884 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ACACB O00763 1/20 0.44
CETP P11597 1/20 0.43
KMT2A Q03164 1/20 0.43
TTR P02766 1/20 0.43
LCAT P04180 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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 0.93 CHRM4 (0.68) CHRM4HDAC6CHRM2CHRM3RBP4
SCHEMBL1728756 0.88 CHRM4 (0.59) CHRM4HDAC6CHRM2CHRM3RBP4
SCHEMBL344929 0.83 CHRM4 (0.56) CHRM4HDAC6CHRM2CHRM3RBP4
SCHEMBL1729313 0.80 PKM (0.55) CHRM4HDAC6ADRB1GPBAR1PKM
SCHEMBL2328007 0.79 ADRB1 (0.54) CHRM4HDAC6RBP4ADRB1PKM
SCHEMBL2326691 0.78 ADRB1 (0.48) CHRM4HDAC6CHRM2CHRM3RBP4
SCHEMBL3781260 0.78 CETP (0.58) CHRM4HDAC6CHRM2CHRM3RBP4
SCHEMBL346015 0.78 ADRB1 (0.58) CHRM4CHRM2CHRM3RBP4ADRB1
SCHEMBL895533 0.78 KDM4E (0.60) CHRM4RBP4ADRB1PKMSLC6A7
SCHEMBL343966 0.77 ADRB1 (0.47) CHRM4HDAC6CHRM2CHRM3RBP4

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-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US 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