SCHEMBL6097714

SCHEMBL6097714

O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(CCc2ccsc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PARP1 P09874 9/20 0.53
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F2 P00734 1/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44

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
SCHEMBL5274946 0.87 PARP1 (0.66) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6094874 0.86 MAPT (0.72) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6097941 0.83 MAPT (0.55) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6325351 0.82 MAPT (0.71) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6098911 0.81 MAPT (0.55) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6093560 0.81 MAPT (0.55) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6097713 0.79 MAPT (0.58) MAPTLMNAALDH1A1POLBL3MBTL1
SCHEMBL6094163 0.77 MAPK14 (0.61)
SCHEMBL6097445 0.75 MAPK14 (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6330003 0.74 MAPT (0.66) MAPTLMNAALDH1A1POLBL3MBTL1

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 claimed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 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