SCHEMBL2331165

SCHEMBL2331165

CC(C)CC1(CCNC(=O)O)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 8/20 0.40
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A9 P48067 1/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
WDR5 P61964 1/20 0.38
SERPINE1 P05121 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL15662852 1.00 MAPT (0.42) MAPTHTR7HTR1AALDH1A1LMNA
SCHEMBL345772 0.76 MAPT (0.35) MAPTHTR7HTR1AALDH1A1LMNA
SCHEMBL345771 0.76 MAPT (0.35) MAPTHTR7HTR1AALDH1A1LMNA
SCHEMBL16305327 0.75 PDE3B (0.47) HTR7ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2360962 0.74 MAPT (0.52) MAPTHTR7HTR1AALDH1A1LMNA
SCHEMBL23538488 0.74 SLC6A9 (0.46) MAPTHTR7HTR1AALDH1A1LMNA
SCHEMBL30207498 0.74 SLC6A9 (0.46) MAPTHTR7HTR1AALDH1A1LMNA
SCHEMBL30207571 0.71 ALDH1A1 (0.46) MAPTHTR7ALDH1A1LMNASMN1; SMN2
SCHEMBL23783287 0.71 ALDH1A1 (0.46) MAPTHTR7ALDH1A1LMNASMN1; SMN2
SCHEMBL30619362 0.71 HTR7 (0.49) MAPTHTR7ALDH1A1LMNASMN1; 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 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