SCHEMBL11118618

SCHEMBL11118618

Cc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(CC3CCCCC3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.53
DRD2 P14416 8/20 0.53
FAAH O00519 7/20 0.53
CNR1 P21554 3/20 0.53
ADRA1A P35348 4/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45

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 0.90 DRD3 (0.61) DRD3DRD2FAAHCNR1ADRA1A
Hydrochloric Acid SCHEMBL11114697 0.90 DRD3 (0.60) DRD3DRD2FAAHCNR1ADRA1A
SCHEMBL11114775 0.90 DRD3 (0.51) DRD3DRD2FAAHCNR1ADRA1A
SCHEMBL11118107 0.88 DRD3 (0.64) DRD3DRD2FAAHCNR1ADRA1A
SCHEMBL11113046 0.86 HRH3 (0.50)
SCHEMBL11114098 0.86 HRH3 (0.50)
SCHEMBL11118198 0.82 HRH3 (0.46) SLC6A4
SCHEMBL11116644 0.80 DRD3 (0.64) DRD3DRD2FAAHCNR1ADRA1A
SCHEMBL11114822 0.79 DRD2 (0.57) DRD3DRD2FAAHCNR1ADRA1A
SCHEMBL11118840 0.79 DRD2 (0.47) DRD3DRD2FAAHHTR2AHTR2C

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