SCHEMBL5562004

SCHEMBL5562004

CC(N)C(=O)Nc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.59
RAB9A P51151 10/20 0.58
NPC1 O15118 9/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
KDM1A O60341 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
KDM1B Q8NB78 2/20 0.52
RCOR1 Q9UKL0 2/20 0.52
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL1430921 0.81 RAB9A (0.64) NPSR1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL8208524 0.81 RAB9A (0.57) MAPTNPSR1ALDH1A1RECQLRAB9A
SCHEMBL13912 0.80 KMT2A (0.75) MAPTNPSR1ALDH1A1RAB9ANPC1
SCHEMBL28106923 0.80 RAB9A (0.70) MAPTNPSR1ALDH1A1RAB9ANPC1
SCHEMBL4743849 0.79 MEN1 (0.72) NPSR1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL29521820 0.78 NPC1 (0.64) MAPTNPSR1ALDH1A1RAB9ANPC1
SCHEMBL14365697 0.77 RAB9A (0.62) NPSR1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL8215606 0.77 RAB9A (0.52) MAPTNPSR1ALDH1A1RECQLRAB9A
SCHEMBL26503639 0.77 MAPT (0.53) MAPTNPSR1ALDH1A1RECQLRAB9A
SCHEMBL2233880 0.76 RAB9A (0.57) MAPTNPSR1ALDH1A1RAB9ANPC1

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-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed