SCHEMBL5800685

SCHEMBL5800685

CCOc1ccccc1C1[N]CCC1c1cn(Cc2cccc(OC)c2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPT P10636 1/20 0.40
HRH2 P25021 2/20 0.40
POLB P06746 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
MAOB P27338 4/20 0.38
HTR6 P50406 4/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
LPO P22079 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC2A1 P11166 1/20 0.36
ABCC2 Q92887 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5434125 0.80 SLC5A1 (0.40) MAPTHRH2POLBSLC5A1SLC5A2
SCHEMBL5432012 0.79 ALDH1A1 (0.44) MAPTPOLBSLC5A1SLC5A2SLC2A1
SCHEMBL5432493 0.75 SLC5A1 (0.42) MAPTSLC5A1SLC5A2HTR6
SCHEMBL5202181 0.73 HRH2 (0.49) MAPTHRH2HTR6HTR2AHTR2C
SCHEMBL4857642 0.70 MAPT (0.41) MAPTHRH2POLBHTR6HTR2A
SCHEMBL13131367 0.68 MAPT (0.57) MAPTPOLBHTR6LPOABCC2
SCHEMBL18509023 0.68 MAPT (0.56) MAPTPOLBLPOABCC2
SCHEMBL5801261 0.66 HTR6 (0.42) MAPTSLC5A1SLC5A2HTR6
SCHEMBL5797794 0.66 SLC5A1 (0.46) MAPTHRH2SLC5A1SLC5A2SLC2A1
SCHEMBL8685109 0.66 MAPT (0.50) MAPTPOLBSLC5A1SLC5A2LPO

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-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP disclosed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO disclosed