SCHEMBL2932597

SCHEMBL2932597

CN1CCC(c2cn(Cc3ccccc3)c3ccc(N)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.47
DRD2 P14416 1/20 0.42
SMO Q99835 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
CNR2 P34972 1/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 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
SCHEMBL6528376 0.86 MEN1 (0.54) HTR6DRD2SMOMEN1MAPT
SCHEMBL6528375 0.86 MEN1 (0.54) HTR6DRD2SMOMEN1MAPT
SCHEMBL6531235 0.86 MEN1 (0.54) HTR6DRD2SMOMEN1MAPT
SCHEMBL5367153 0.80 PLA2G2A (0.49) HTR6DRD2SMOMEN1MAPT
SCHEMBL27335976 0.76 HTR6 (0.41) HTR6DRD2KDM4EATM
SCHEMBL1275102 0.73 HTR1A (0.44) HTR6DRD2SMOMEN1MAPT
SCHEMBL21295511 0.73 PLA2G2A (0.48) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5367451 0.72 HTR6 (0.48) HTR6DRD2SMOLMNACNR2
Hydrochloric Acid SCHEMBL5367444 0.72 HTR6 (0.48) HTR6DRD2SMOLMNACNR2
SCHEMBL12004601 0.72 HTR1A (0.59) HTR6DRD2SMOMEN1MAPT

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
EP-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 EP disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 WO disclosed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed