SCHEMBL6097439

SCHEMBL6097439

CC(c1ccsc1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.53
MAPK14 Q16539 2/20 0.49
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ENPP2 Q13822 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6094161 0.93 MAPK14 (0.50) GHSRMAPK14DRD2DRD3
SCHEMBL3249536 0.81 GHSR (0.64) GHSRMAPK14KDM4EALDH1A1HPGD
SCHEMBL5925669 0.81 GHSR (0.56) GHSRMAPK14HPGD
SCHEMBL6110669 0.79 GHSR (0.61) GHSRMAPK14KDM4EALDH1A1HPGD
SCHEMBL6094782 0.78 HCRTR1 (0.41) ALDH1A1HPGD
SCHEMBL6096876 0.78 MAPK14 (0.51) MAPK14ALDH1A1
SCHEMBL5283293 0.78 GHSR (0.52) GHSRMAPK14DRD2DRD3KDM4E
SCHEMBL16002856 0.78 GHSR (0.69) GHSRMAPK14DRD2DRD3KDM4E
SCHEMBL5925665 0.77 GHSR (0.51) GHSRMAPK14DRD2DRD3KDM4E
SCHEMBL6097713 0.76 MAPT (0.58) KDM4EALDH1A1

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