SCHEMBL5526745

SCHEMBL5526745

CCC(N)C(C)C1COc2ccc3ncccc3c2O1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
LTA4H P09960 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL4538637 0.73 LTA4H (0.40) MAPTKDM4EHTR1AMEN1LMNA
SCHEMBL5524400 0.71 MAPT (0.40) MAPTKDM4EHTR1AMEN1LMNA
SCHEMBL5523537 0.71 MAPT (0.40) MAPTKDM4EHTR1AMEN1LMNA
SCHEMBL14064172 0.68 HTR1A (0.44) HTR1A
SCHEMBL14697272 0.65 MAPT (0.52) HTR2AHTR2CHTR2BMAPTKDM4E
SCHEMBL4192166 0.65 MAPT (0.52) HTR2AMAPTKDM4EHTR1AMEN1
SCHEMBL13934543 0.64 HTR1A (0.51) HTR1A
SCHEMBL4335133 0.63 LMNA (0.39) MAPTHTR1AMEN1LMNAHTT
SCHEMBL4183102 0.63 ALDH1A1 (0.34) MEN1LMNAHTTKMT2AHIF1A
SCHEMBL5584234 0.61 MAPT (0.43) MAPTKDM4EHTR1AMEN1LMNA

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 disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO disclosed