SCHEMBL8060561

SCHEMBL8060561

CN(C)CCc1ccc2cccc(O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
METAP2 P50579 2/20 0.50
PLAU P00749 1/20 0.46
NCF1 P14598 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
SOS2 Q07890 1/20 0.42
PDE10A Q9Y233 6/20 0.42
PIM1 P11309 1/20 0.41
PDE4D Q08499 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL3306672 0.84 METAP2 (0.47) HTR2AMETAP2PLAUNCF1ALDH1A1
SCHEMBL4394002 0.84 METAP2 (0.57) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL18131613 0.83 METAP2 (0.53) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL2484187 0.81 METAP2 (0.55) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL4393939 0.81 METAP2 (0.53) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL8236564 0.80 METAP2 (0.52) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL1160443 0.79 METAP2 (0.51) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL7923339 0.78 METAP2 (0.50) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL4792326 0.78 PLAU (0.55) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL1101005 0.78 PARP1 (0.58) METAP2PLAUNCF1ALDH1A1CYP1A2

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-1014960-A1 USE OF A SPECIFIC ANTAGONIST OF 5HT2 RECEPTORS FOR PREPARING MEDICINES USEFUL FOR TREATING SLEEP-DISORDERED BREATHING SANOFI-SYNTHELABO (FR) 2000-07-05 EP claimed
WO-1999000119-A1 USE OF A SPECIFIC ANTAGONIST OF 5HT2 RECEPTORS FOR PREPARING MEDICINES USEFUL FOR TREATING SLEEP-DISORDERED BREATHING SANOFI-SYNTHELABO (FR) 1999-01-07 WO claimed