SCHEMBL6097445

SCHEMBL6097445

O=C(c1ccc2cc[nH]c2c1)N1CCN(CCc2ccsc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.60
GHSR Q92847 5/20 0.53
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 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
SCHEMBL6094163 0.93 MAPK14 (0.61) MAPK14GHSRDRD2DRD3HRH4
SCHEMBL6095301 0.84 MAPK14 (0.79) MAPK14GHSRDRD2DRD3MEN1
SCHEMBL5279234 0.83 MAPK14 (0.62) MAPK14GHSRDRD2DRD3MEN1
Hydrochloric Acid SCHEMBL27516130 0.82 MAPK14 (0.61) MAPK14GHSRDRD2DRD3MEN1
SCHEMBL5279687 0.81 MAPK14 (0.60) MAPK14GHSRDRD2DRD3HRH4
SCHEMBL6110669 0.79 GHSR (0.61) MAPK14GHSRALDH1A1MAPTHSD17B10
SCHEMBL6094784 0.78 HTR2A (0.45) MAPK14DRD2DRD3MEN1KMT2A
SCHEMBL5274240 0.78 MAPK14 (0.59) MAPK14GHSRDRD2DRD3ALDH1A1
SCHEMBL6096879 0.78 MAPK14 (0.62) MAPK14DRD2DRD3MEN1KMT2A
SCHEMBL5283296 0.78 MAPK14 (0.59) MAPK14GHSRDRD2DRD3ALDH1A1

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 7 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
WO-2006034788-A1 COMBINATIONS OF N-(INDOLECARBONYL-)PIPERAZINE DERIVATIVES AND SEROTONIN REUPTAKE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
CN-1229345-C N-(indolcarbonyl) piperazin derivatives MERCK PATENT GMBH (DE) 2005-11-30 CN 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