SCHEMBL7220084

SCHEMBL7220084

CCCNCCC(=O)n1c(N2CCC(Cc3ccccc3)CC2)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL5374061 0.81 GAA (0.45) HTR7MEN1KMT2AHDAC6SLC6A2
SCHEMBL7073760 0.79 SIGMAR1 (0.47) HTR7SIGMAR1HDAC6MAPT
SCHEMBL5371611 0.78 HDAC6 (0.44) HTR7HDAC6SLC6A2SLC6A4
SCHEMBL5732388 0.70 GAA (0.49) MEN1KMT2AHDAC6ALDH1A1MAPT
SCHEMBL5383002 0.70 SLC6A2 (0.51) HDAC6SLC6A2SLC6A4
SCHEMBL5365880 0.68 SLC6A2 (0.41) HDAC6SLC6A2SLC6A4
SCHEMBL27016353 0.68 PRMT6 (0.82) SIGMAR1PRMT6SLC6A2
SCHEMBL5377672 0.68 HDAC6 (0.49) MEN1KMT2AHDAC6ALDH1A1MAPT
SCHEMBL5375990 0.67 GAA (0.51) KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL5368021 0.67 GAA (0.48) HDAC6

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-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed