SCHEMBL11113965

SCHEMBL11113965

COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(-c3ccccc3)cn2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.77
FAAH O00519 8/20 0.77
DRD2 P14416 13/20 0.68
DRD4 P21917 6/20 0.68
KCNH2 Q12809 1/20 0.68
HTR1A P08908 2/20 0.67
HTR2A P28223 2/20 0.67
HTR2C P28335 2/20 0.67
HTR2B P41595 2/20 0.67
SLC6A2 P23975 1/20 0.64
SLC6A4 P31645 1/20 0.64
CYP1A2 P05177 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL11116160 0.97 DRD3 (0.77) DRD3FAAHDRD2DRD4KCNH2
Hydrochloric Acid SCHEMBL11114915 0.91 DRD3 (0.68) DRD3FAAHDRD2DRD4HTR1A
SCHEMBL11118155 0.90 DRD3 (0.65) DRD3FAAHDRD2DRD4HTR1A
SCHEMBL16406402 0.87 DRD3 (1.00) DRD3FAAHDRD2DRD4KCNH2
Hydrochloric Acid SCHEMBL17889741 0.86 DRD3 (1.00) DRD3FAAHDRD2DRD4KCNH2
SCHEMBL11114880 0.86 DRD3 (0.62) DRD3FAAHDRD2DRD4HTR1A
SCHEMBL11114077 0.84 DRD3 (0.61) DRD3FAAHDRD2DRD4SLC6A2
SCHEMBL16406382 0.84 DRD3 (1.00) DRD3FAAHDRD2DRD4KCNH2
SCHEMBL11116794 0.84 DRD2 (0.56) DRD3FAAHDRD2DRD4HTR1A
Hydrochloric Acid SCHEMBL16400254 0.83 DRD3 (1.00) DRD3FAAHDRD2DRD4KCNH2

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