SCHEMBL11114077

SCHEMBL11114077

COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(-c3ccc(Cl)cc3Cl)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.61
FAAH O00519 9/20 0.61
DRD2 P14416 9/20 0.56
CNR1 P21554 1/20 0.56
DRD4 P21917 3/20 0.55
CACNA1G O43497 1/20 0.55
ADRA1A P35348 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53

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
SCHEMBL11114880 0.92 DRD3 (0.62) DRD3FAAHDRD2CNR1DRD4
Hydrochloric Acid SCHEMBL11114915 0.90 DRD3 (0.68) DRD3FAAHDRD2CNR1DRD4
SCHEMBL11116160 0.87 DRD3 (0.77) DRD3FAAHDRD2CNR1DRD4
SCHEMBL11118155 0.86 DRD3 (0.65) DRD3FAAHDRD2CNR1DRD4
SCHEMBL11113965 0.84 DRD3 (0.77) DRD3FAAHDRD2DRD4SLC6A2
SCHEMBL11116794 0.84 DRD2 (0.56) DRD3FAAHDRD2CNR1DRD4
SCHEMBL11115212 0.77 DRD3 (0.61) DRD3FAAHDRD2CNR1ADRA1A
Hydrochloric Acid SCHEMBL11114697 0.77 DRD3 (0.60) DRD3FAAHDRD2CNR1ADRA1A
SCHEMBL16406382 0.76 DRD3 (1.00) DRD3FAAHDRD2CNR1DRD4
SCHEMBL11114822 0.76 DRD2 (0.57) DRD3FAAHDRD2CNR1DRD4

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