SCHEMBL6094856

SCHEMBL6094856

CC(c1cc(Cl)sc1Cl)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
GPR183 P32249 1/20 0.46
MGLL Q99685 1/20 0.45
FASN P49327 1/20 0.43
GHSR Q92847 2/20 0.43
CCR3 P51677 1/20 0.42
CHRM2 P08172 1/20 0.42
NUDT15 Q9NV35 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OXTR P30559 1/20 0.39

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
SCHEMBL5925665 0.93 GHSR (0.51) MAPK14DRD2DRD3GHSR
SCHEMBL6096167 0.85 MAPK14 (0.52) MAPK14DRD2DRD3GPR183MGLL
SCHEMBL6098930 0.81 MAPK14 (0.56) MAPK14DRD2DRD3GPR183MGLL
SCHEMBL2219560 0.80 MAPK14 (0.60) MAPK14DRD2DRD3GPR183MGLL
SCHEMBL6098559 0.79 HCRTR1 (0.39) MAPK14MGLL
SCHEMBL5925678 0.79 MAPK14 (0.51) MAPK14MGLLCCR3CHRM2MAPT
SCHEMBL6098908 0.78 MAPT (0.55) LMNAMAPTL3MBTL1
SCHEMBL5283293 0.78 GHSR (0.52) MAPK14DRD2DRD3GHSR
SCHEMBL6094161 0.78 MAPK14 (0.50) MAPK14DRD2DRD3GPR183MGLL
SCHEMBL6094446 0.78 MAPK14 (0.53) MAPK14DRD2DRD3GPR183MGLL

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
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