SCHEMBL6094722

SCHEMBL6094722

O=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2cc(Cl)sc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.60
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
GPR183 P32249 1/20 0.46
CCR3 P51677 1/20 0.45
FASN P49327 1/20 0.44
MGLL Q99685 1/20 0.43
GHSR Q92847 2/20 0.43
NUDT15 Q9NV35 1/20 0.42

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
SCHEMBL5274240 0.93 MAPK14 (0.59) MAPK14DRD2DRD3GHSR
SCHEMBL6096172 0.86 MAPK14 (0.60) MAPK14DRD2DRD3GPR183CCR3
SCHEMBL6098930 0.82 MAPK14 (0.56) MAPK14DRD2DRD3GPR183CCR3
SCHEMBL6093708 0.80 MAPK14 (0.79) MAPK14DRD2DRD3MGLLGHSR
SCHEMBL6098564 0.79 HTR2A (0.43) MAPK14DRD2DRD3
SCHEMBL5277129 0.79 MAPK14 (0.60) MAPK14DRD2DRD3CCR3MGLL
SCHEMBL6094450 0.78 MAPK14 (0.61) MAPK14DRD2DRD3GPR183FASN
SCHEMBL6094163 0.78 MAPK14 (0.61) MAPK14DRD2DRD3GPR183CCR3
SCHEMBL5283296 0.78 MAPK14 (0.59) MAPK14DRD2DRD3GHSR
SCHEMBL6096558 0.78 MAPK14 (0.63) MAPK14DRD2DRD3GPR183

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