SCHEMBL5523537

SCHEMBL5523537

CN(C)C1COc2ccc3ncccc3c2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP3A4 P08684 1/20 0.34
LTA4H P09960 3/20 0.34
HTR1A P08908 4/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
ERN1 O75460 1/20 0.33
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5524400 0.78 MAPT (0.40) MAPTKDM4ECYP1A2CYP1B1CYP3A4
SCHEMBL4538637 0.76 LTA4H (0.40) MAPTKDM4ECYP1A2CYP1B1CYP3A4
SCHEMBL4192166 0.71 MAPT (0.52) MAPTKDM4ECYP1A2CYP1B1CYP3A4
SCHEMBL14697272 0.71 MAPT (0.52) MAPTKDM4ECYP1A2CYP1B1CYP3A4
SCHEMBL5526745 0.71 HTR2A (0.34) MAPTKDM4ECYP1A2CYP1B1LTA4H
SCHEMBL14064172 0.70 HTR1A (0.44) CYP3A4HTR1A
SCHEMBL4183102 0.69 ALDH1A1 (0.34) CYP1A2CYP1B1LMNAMEN1HTT
SCHEMBL4335133 0.67 LMNA (0.39) MAPTCYP1A2CYP1B1CYP3A4HTR1A
SCHEMBL9413226 0.66 LTA4H (0.47) MAPTKDM4ECYP1A2LTA4HLMNA
SCHEMBL5584234 0.65 MAPT (0.43) MAPTKDM4ECYP1A2CYP1B1CYP3A4

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-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP claimed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO claimed