SCHEMBL2331277

SCHEMBL2331277

O=C(O)NC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.55
HTT P42858 1/20 0.52
HTR1A P08908 1/20 0.51
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
SLC6A9 P48067 1/20 0.46
SERPINE1 P05121 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2331268 1.00 HTR7 (0.55) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL13419582 0.86 DRD2 (0.52) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL2360962 0.84 MAPT (0.52) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL20214460 0.81 SIGMAR1 (0.55) HTR7ALDH1A1MAPT
SCHEMBL2360963 0.81 HTT (0.54) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL2360964 0.81 HTT (0.54) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL18688423 0.81 ALDH1A1 (0.51) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL31439298 0.80 MAPT (0.52) HTR7HTTHTR1AALDH1A1TDP1
SCHEMBL20569350 0.80 SLC6A9 (0.58) HTTALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL22465912 0.79 GAA (0.61) HTR7HTTALDH1A1MAPTSMN1; SMN2

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