SCHEMBL6325349

SCHEMBL6325349

C[C@@H](c1sccc1Cl)N1CCN(C(=O)c2cccc3[nH]ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
CCR3 P51677 1/20 0.44
MGLL Q99685 2/20 0.44
CCR5 P51681 1/20 0.43
RECQL P46063 1/20 0.42
CHRM2 P08172 2/20 0.41
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.36
GOT1 P17174 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6094630 0.82 MAPK14 (0.52) MAPK14GAAMAPTCCR3MGLL
SCHEMBL5276413 0.81 MAPK14 (0.53) MAPK14GAAMAPTCCR3MGLL
SCHEMBL6096876 0.80 MAPK14 (0.51) MAPK14GAAMAPTCCR3MGLL
SCHEMBL5925678 0.79 MAPK14 (0.51) MAPK14GAAMAPTCCR3MGLL
SCHEMBL3210544 0.77 MAPK14 (0.65) MAPK14GAAMAPTMGLLCCR5
SCHEMBL6112304 0.73 MAPK14 (0.67) MAPK14GAAMAPTCCR3MGLL
SCHEMBL16598948 0.73 MAPK14 (0.64) MAPK14MAPTMGLLCCR5HTT
SCHEMBL6095813 0.72 MAPK14 (0.57) MAPK14GAAMAPTCCR3MGLL
SCHEMBL2216397 0.71 MAPK14 (0.64) MAPK14GAAMAPTCCR3MGLL
SCHEMBL6097059 0.70 MAPK14 (0.57) MAPK14GAAMAPTCCR3MGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US disclosed