SCHEMBL11114880

SCHEMBL11114880

COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(-c3c(Cl)cc(Cl)cc3Cl)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.62
FAAH O00519 10/20 0.62
DRD2 P14416 10/20 0.58
CNR1 P21554 1/20 0.58
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR2A P28223 3/20 0.54
DRD4 P21917 3/20 0.54
HTR1A P08908 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54

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
SCHEMBL11114077 0.92 DRD3 (0.61) DRD3FAAHDRD2CNR1SLC6A2
Hydrochloric Acid SCHEMBL11114915 0.90 DRD3 (0.68) DRD3FAAHDRD2CNR1SLC6A2
SCHEMBL11116160 0.88 DRD3 (0.77) DRD3FAAHDRD2CNR1SLC6A2
SCHEMBL11118155 0.88 DRD3 (0.65) DRD3FAAHDRD2CNR1SLC6A2
SCHEMBL11113965 0.86 DRD3 (0.77) DRD3FAAHDRD2SLC6A2SLC6A4
SCHEMBL11116794 0.85 DRD2 (0.56) DRD3FAAHDRD2CNR1HTR2A
SCHEMBL11115212 0.78 DRD3 (0.61) DRD3FAAHDRD2CNR1HTR2A
Hydrochloric Acid SCHEMBL11114697 0.78 DRD3 (0.60) DRD3FAAHDRD2CNR1HTR2A
SCHEMBL16406382 0.77 DRD3 (1.00) DRD3FAAHDRD2CNR1SLC6A2
SCHEMBL11114822 0.77 DRD2 (0.57) DRD3FAAHDRD2CNR1HTR2A

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
EP-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed