SCHEMBL2328007

SCHEMBL2328007

O=C(O)NC1CCN(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
RBP4 P02753 1/20 0.54
PKM P14618 2/20 0.53
SLC6A7 Q99884 1/20 0.53
CHRM4 P08173 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACACB O00763 1/20 0.48
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
LCAT P04180 1/20 0.46
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL15662916 0.95 PKM (0.54) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL19658658 0.89 ACACB (0.54) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL19652155 0.87 ADRB1 (0.51) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL3719957 0.85 ADRB1 (0.49) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL895533 0.83 KDM4E (0.60) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL1728756 0.82 CHRM4 (0.59) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL15655254 0.81 ADRB1 (0.50) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL2324834 0.81 CHRM4 (0.68) ADRB1RBP4PKMSLC6A7CHRM4
SCHEMBL17753021 0.81 ADRB1 (0.56) ADRB1RBP4PKMSLC6A7CHRM4
Hydrochloric Acid SCHEMBL17748980 0.81 ADRB1 (0.58) ADRB1RBP4PKMSLC6A7CHRM4

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 3 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
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