SCHEMBL6094161

SCHEMBL6094161

CC(c1ccsc1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
GPR183 P32249 1/20 0.47
FASN P49327 1/20 0.44
GHSR Q92847 3/20 0.44
MGLL Q99685 1/20 0.44
CHRM2 P08172 1/20 0.43
NUDT15 Q9NV35 1/20 0.43
MAP3K11 Q16584 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6097439 0.93 GHSR (0.53) MAPK14DRD2DRD3GHSR
SCHEMBL2219560 0.82 MAPK14 (0.60) MAPK14DRD2DRD3GPR183FASN
SCHEMBL6094446 0.81 MAPK14 (0.53) MAPK14DRD2DRD3GPR183FASN
SCHEMBL6112384 0.79 MAPK14 (0.55) MAPK14DRD2DRD3GPR183FASN
SCHEMBL6096167 0.78 MAPK14 (0.52) MAPK14DRD2DRD3GPR183FASN
SCHEMBL3039407 0.78 MAPK14 (0.64) MAPK14DRD2DRD3GPR183FASN
SCHEMBL6094856 0.78 MAPK14 (0.51) MAPK14DRD2DRD3GPR183FASN
SCHEMBL6097713 0.77 MAPT (0.58) LMNAMAPTL3MBTL1
SCHEMBL6094782 0.77 HCRTR1 (0.41) MAPT
SCHEMBL6096876 0.77 MAPK14 (0.51) MAPK14MGLLCHRM2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US disclosed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US disclosed
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP disclosed
EP-1198453-B1 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-09 EP disclosed