SCHEMBL11115212

SCHEMBL11115212

COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(CC3CCCCC3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.61
DRD2 P14416 8/20 0.61
ADRA1A P35348 2/20 0.61
FAAH O00519 6/20 0.57
CNR1 P21554 1/20 0.57
HTR2A P28223 1/20 0.53
HTR1A P08908 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
Hydrochloric Acid SCHEMBL11114697 0.99 DRD3 (0.60) DRD3DRD2ADRA1AFAAHCNR1
SCHEMBL11118107 0.98 DRD3 (0.64) DRD3DRD2ADRA1AFAAHCNR1
SCHEMBL11114775 0.93 DRD3 (0.51) DRD3DRD2ADRA1AFAAHCNR1
SCHEMBL11118618 0.90 DRD3 (0.53) DRD3DRD2ADRA1AFAAHCNR1
SCHEMBL11114822 0.89 DRD2 (0.57) DRD3DRD2ADRA1AFAAHCNR1
SCHEMBL11114098 0.85 HRH3 (0.50)
SCHEMBL11113046 0.85 HRH3 (0.50)
SCHEMBL11116160 0.82 DRD3 (0.77) DRD3DRD2ADRA1AFAAHCNR1
SCHEMBL11118198 0.81 HRH3 (0.46)
SCHEMBL11118155 0.80 DRD3 (0.65) DRD3DRD2FAAHCNR1HTR2A

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