SCHEMBL6064337

SCHEMBL6064337

COc1ccccc1N1CCN(CC(CC(=O)C2CCCCC2)c2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ADRA1A P35348 5/20 0.57
DRD4 P21917 3/20 0.57
ADRA1D P25100 3/20 0.57
ADRA1B P35368 3/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
HTR2B P41595 1/20 0.56
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD2 P14416 2/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL7775633 0.85 KDM4E (0.57) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL6312480 0.80 HTR1A (0.62) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8648451 0.78 HTR1A (0.55) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8647825 0.77 HTR1A (0.54) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL10753828 0.77 IGF1R (0.63) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7474354 0.77 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8010247 0.77 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7474356 0.77 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8646293 0.77 HTR1A (0.53) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8648288 0.77 HTR1A (0.54) HTR1AMEN1KMT2AADRA1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706147-A2 COMBINATION THERAPY WITH 5-HT sb 1A /sb AND 5-HT sb 1B /sb RECEPTOR ANTAGONISTS Recordati Ireland Limited (IE) 2006-10-04 EP claimed
WO-2005070460-A2 COMBINATION THERAPY WITH 5-HT1A AND 5-HT1B RECEPTOR ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2005-08-04 WO claimed