SCHEMBL11114822

SCHEMBL11114822

COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(CCCC3CCC3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.57
DRD3 P35462 8/20 0.55
FAAH O00519 6/20 0.55
CNR1 P21554 1/20 0.55
ADRA1A P35348 2/20 0.55
DRD4 P21917 1/20 0.53
HTR2A P28223 1/20 0.52

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
SCHEMBL11115212 0.89 DRD3 (0.61) DRD2DRD3FAAHCNR1ADRA1A
Hydrochloric Acid SCHEMBL11114697 0.88 DRD3 (0.60) DRD2DRD3FAAHCNR1ADRA1A
SCHEMBL11118107 0.87 DRD3 (0.64) DRD2DRD3FAAHCNR1ADRA1A
SCHEMBL11114775 0.82 DRD3 (0.51) DRD2DRD3FAAHCNR1ADRA1A
SCHEMBL11118840 0.81 DRD2 (0.47) DRD2DRD3FAAHDRD4HTR2A
SCHEMBL11116160 0.81 DRD3 (0.77) DRD2DRD3FAAHCNR1ADRA1A
SCHEMBL11118618 0.79 DRD3 (0.53) DRD2DRD3FAAHCNR1ADRA1A
SCHEMBL11118155 0.79 DRD3 (0.65) DRD2DRD3FAAHCNR1DRD4
SCHEMBL11113965 0.79 DRD3 (0.77) DRD2DRD3FAAHDRD4HTR2A
Hydrochloric Acid SCHEMBL11114915 0.79 DRD3 (0.68) DRD2DRD3FAAHCNR1DRD4

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