SCHEMBL8261012

SCHEMBL8261012

C[C@@H]1CN(c2cccc3c2oc(=O)n3C)C[C@H](C)N1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
DRD2 P14416 1/20 0.48
HTR1D P28221 5/20 0.33
HTR1B P28222 4/20 0.33
SLC6A4 P31645 3/20 0.33
KCNH2 Q12809 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GHSR Q92847 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
ASAH1 Q13510 1/20 0.31

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
SCHEMBL8255692 0.85 HTR1A (0.47) HTR1ADRD2SIGMAR1KMT2AMEN1
SCHEMBL8253225 0.78 DRD2 (0.60) HTR1ADRD2KMT2AMEN1PSMD14
SCHEMBL8246237 0.76 DRD2 (0.55) HTR1ADRD2HTR1DHTR1BSIGMAR1
Hydrochloric Acid SCHEMBL5458668 0.75 HTR1A (0.54) HTR1ADRD2HTR1DHTR1BSIGMAR1
SCHEMBL13533092 0.74 HTR1A (0.65) HTR1ADRD2
SCHEMBL8258255 0.74 DRD2 (0.47) HTR1ADRD2SLC6A4
SCHEMBL13681603 0.70 HTR1A (0.41) HTR1ADRD2ASAH1JAK2BTK
SCHEMBL17776035 0.69 ASAH1 (0.48) HTR1ADRD2LMNAASAH1JAK2
SCHEMBL14867215 0.69 ASAH1 (0.42) HTR1ADRD2KMT2AMEN1LMNA
SCHEMBL5546415 0.67 JAK2 (0.42) HTR1ADRD2KMT2AMEN1LMNA

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
WO-2006061379-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed