SCHEMBL2328236

SCHEMBL2328236

NCCC1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1.NCCC1CN(c2nccc(C(F)(F)F)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
RBP4 P02753 2/20 0.43
ADRB1 P08588 1/20 0.42
CHRM4 P08173 1/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SLC6A7 Q99884 1/20 0.41
PKM P14618 1/20 0.40
DKK1 O94907 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1A P08908 2/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL345939 0.84 KDM1A (0.44) SLC6A7HDAC6
SCHEMBL346015 0.84 ADRB1 (0.58) KMT2ARBP4ADRB1CHRM4SLC6A7
SCHEMBL2328242 0.83 RBP4 (0.40) KMT2ARBP4ADRB1CHRM4MAPK1
SCHEMBL345329 0.82 ADRB1 (0.52) KMT2ARBP4ADRB1CHRM4SLC6A7
SCHEMBL344771 0.77 ADRB1 (0.55) KMT2ARBP4ADRB1CHRM4SLC6A7
SCHEMBL2834267 0.77 ADRB1 (0.61) KMT2ARBP4ADRB1CHRM4SLC6A7
SCHEMBL14622839 0.71 ADORA2A (0.43) HTR1A
SCHEMBL345280 0.71 DRD4 (0.46) CHRM4KCNH2HTR1AHDAC6KDM4E
SCHEMBL13990826 0.71 ADRB1 (0.59) KMT2ARBP4ADRB1CHRM4SLC6A7
SCHEMBL4765939 0.69 CCR2 (0.53) KMT2ARBP4ADRB1CHRM4SLC6A7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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