SCHEMBL11219918

SCHEMBL11219918

OC12CCCCC1CNC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 9/20 0.38
CYP1A1 P04798 6/20 0.38
CYP1A2 P05177 6/20 0.38
CYP2D6 P10635 6/20 0.38
CYP3A4 P08684 5/20 0.38
KCNH2 Q12809 4/20 0.38
MAPT P10636 1/20 0.36
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MET P08581 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
SCHEMBL7847424 0.93
Hydrochloric Acid SCHEMBL30951650 0.91 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL4879988 0.81 MAPT (0.43) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL4879992 0.81 MAPT (0.43) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL22349711 0.81 MAPT (0.39) MAPTTSHRLMNAHSD17B10
SCHEMBL20833297 0.76 MAPT (0.37) MAPTTSHRLMNA
SCHEMBL29332280 0.74 SLC6A1 (0.38) CYP2D6MAPTTSHRLMNA
SCHEMBL29333114 0.74 SLC6A1 (0.38) CYP2D6MAPTTSHRLMNA
SCHEMBL17472486 0.74 MAPT (0.36) MAPTTSHR
SCHEMBL20833154 0.74 MAPT (0.36) MAPTTSHRMET

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
US-4380466-A HERBICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-04-19 US disclosed
EP-0040849-A1 Hexahydroisoindole derivatives, process for producing said compounds and herbicides containing said compounds Takeda Chemical Industries, Ltd. (JP) 1981-12-02 EP disclosed