SCHEMBL2701784

SCHEMBL2701784

COCCCCC(=O)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.47
GNAI1 P63096 5/20 0.47
GNAO1 P09471 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
GLA P06280 1/20 0.41
NPC1 O15118 1/20 0.41
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
GAA P10253 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL4297608 0.95 GNAI3 (0.44) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL4290518 0.87 MEN1 (0.44) GNAI3GNAI1GNAO1ALDH1A1MEN1
SCHEMBL9415769 0.83 GNAI3 (0.56) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL16756662 0.83 GNAI3 (0.56) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL10337915 0.83 GNAI3 (0.56) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL9415827 0.83 GNAI3 (0.56) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL30983344 0.81 GLA (0.59) GNAI3GNAI1GNAO1L3MBTL1ALDH1A1
SCHEMBL24476755 0.81 GAA (0.41) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL4440119 0.81 KMT2A (0.62) L3MBTL1ALDH1A1MEN1KMT2ATDP1
SCHEMBL12282009 0.81 KDM4E (0.49) GNAI3GNAI1GNAO1L3MBTL1ALDH1A1

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-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed