SCHEMBL2331284

SCHEMBL2331284

O=C(NCC1(F)CCN(c2nccc(C(F)(F)F)n2)CC1)OCc1cc(C(=O)O)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
CHRM4 P08173 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PKM P14618 2/20 0.39
SLC6A7 Q99884 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RIPK1 Q13546 1/20 0.37
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL344922 0.90 ADRB1 (0.38) ADRB1CHRM4HDAC6PKMSLC6A7
SCHEMBL16161721 0.80 ADRB1 (0.50) ADRB1CHRM4HDAC6PKMSLC6A7
SCHEMBL346214 0.75 SLC6A2 (0.37) ADRB1HDAC6PKMSLC6A7CA12
SCHEMBL2327811 0.74 HRH3 (0.39) KDM4EALDH1A1
SCHEMBL2324598 0.74 CHRM1 (0.35) CHRM3SLC6A3SLC6A2
SCHEMBL2331274 0.73 PKM (0.42) ADRB1CHRM4PKMSLC6A7CA12
SCHEMBL345643 0.73 HDAC6 (0.38) ADRB1CHRM4HDAC6PKMSLC6A7
SCHEMBL345642 0.70 HDAC6 (0.38) ADRB1CHRM4HDAC6PKMSLC6A7
SCHEMBL2331289 0.69 IRAK4 (0.33)
SCHEMBL648521 0.69 PKM (0.47) ADRB1CHRM4HDAC6PKMSLC6A7

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