SCHEMBL2328205

SCHEMBL2328205

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.54
PKM P14618 2/20 0.53
SLC6A7 Q99884 1/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
RBP4 P02753 1/20 0.46
PARP1 P09874 1/20 0.45
RIPK1 Q13546 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM4 P08173 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LCAT P04180 1/20 0.44
OGA O60502 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
SLC6A3 Q01959 3/20 0.40

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
SCHEMBL2326691 0.84 ADRB1 (0.48) ADRB1PKMSLC6A7CA12CA1
SCHEMBL345156 0.84 ADRB1 (0.56) ADRB1PKMSLC6A7CA12CA1
SCHEMBL344004 0.82 ADRB1 (0.54) ADRB1PKMSLC6A7CA12CA1
SCHEMBL346155 0.80 ADRB1 (0.49) ADRB1PKMSLC6A7CA12CA1
SCHEMBL2330929 0.80 ADRB1 (0.54) ADRB1PKMSLC6A7CA12CA1
SCHEMBL16161818 0.79 ADRB1 (0.48) ADRB1PKMSLC6A7CA12CA1
SCHEMBL16161721 0.79 ADRB1 (0.50) ADRB1PKMSLC6A7CA12CA1
SCHEMBL8354208 0.78 ADRB1 (0.78) ADRB1PKMSLC6A7CA12CA1
SCHEMBL5232026 0.78 SLC6A7 (0.68) ADRB1PKMSLC6A7CA12CA1
SCHEMBL2702717 0.76 PKM (0.54) ADRB1PKMSLC6A7CA12CA1

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