SCHEMBL17468765

SCHEMBL17468765

COc1cccc2c1OC(c1ccc(Cl)cc1)CNC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HTR2B P41595 3/20 0.33
HTR2A P28223 2/20 0.33
HPGD P15428 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2C P28335 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL17468805 0.80 KDM4E (0.41) SLC6A4HTR2BHTR2AHPGDHTR1A
Hydrochloric Acid SCHEMBL11798094 0.74 SLC6A4 (0.40) SLC6A4BCHEACHEHTR2BHTR2A
SCHEMBL17459280 0.74 GUSB (0.41) SLC6A4HTR3AKDM4EHSD17B10
SCHEMBL17469118 0.74 HTR1A (0.36) HTR1AALDH1A1
SCHEMBL17468806 0.72 MAOB (0.44) SLC6A4HTR2BHTR6HTR2C
SCHEMBL17468757 0.72 MAOB (0.44) SLC6A4HTR2BHTR2AHTR6HTR2C
SCHEMBL17459292 0.69 ESR1 (0.40) SLC6A4HTR3AHTR2C
SCHEMBL29424139 0.69 CSF1R (0.42) SLC6A4ACHEHTR1AKDM4E
SCHEMBL17469150 0.68 MGLL (0.35)
SCHEMBL17468802 0.68 KIF11 (0.35) SLC6A4HTR3A

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed