SCHEMBL11116794

SCHEMBL11116794

COc1ccccc1N1CCN(CCNC(=O)Oc2ccc(-c3ccc(Cl)c(Cl)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.56
HTR1A P08908 4/20 0.55
ADRA1A P35348 2/20 0.55
DRD3 P35462 9/20 0.55
FAAH O00519 7/20 0.55
DRD4 P21917 4/20 0.53
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
CNR1 P21554 1/20 0.51

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
SCHEMBL11118155 0.86 DRD3 (0.65) DRD2HTR1ADRD3FAAHDRD4
SCHEMBL11114880 0.85 DRD3 (0.62) DRD2HTR1ADRD3FAAHDRD4
Hydrochloric Acid SCHEMBL11114915 0.85 DRD3 (0.68) DRD2HTR1ADRD3FAAHDRD4
SCHEMBL11116160 0.84 DRD3 (0.77) DRD2HTR1AADRA1ADRD3FAAH
SCHEMBL11114077 0.84 DRD3 (0.61) DRD2ADRA1ADRD3FAAHDRD4
SCHEMBL11113965 0.84 DRD3 (0.77) DRD2HTR1ADRD3FAAHDRD4
SCHEMBL11115212 0.73 DRD3 (0.61) DRD2HTR1AADRA1ADRD3FAAH
SCHEMBL11118107 0.73 DRD3 (0.64) DRD2HTR1AADRA1ADRD3FAAH
Hydrochloric Acid SCHEMBL11114697 0.73 DRD3 (0.60) DRD2HTR1AADRA1ADRD3FAAH
SCHEMBL11116644 0.72 DRD3 (0.64) DRD2HTR1AADRA1ADRD3FAAH

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 2 patents. 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
EP-0122197-A2 Anchoring devices for lubricated prestressing reinforcements FREYSSINET INTERNATIONAL (STUP) (FR) 1984-10-17 EP disclosed