SCHEMBL7939886

SCHEMBL7939886

C#CCCCN1C(=O)c2cccc(Cl)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
MAOB P27338 4/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HEXA P06865 2/20 0.40
HEXB P07686 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL314533 0.82 MAOB (0.55) MAOBBCHEACHE
SCHEMBL30797187 0.82 MAOB (0.55) MAOBBCHEACHE
SCHEMBL2888769 0.82 MEN1 (0.51) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL1501455 0.81 DRD2 (0.50) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL2890361 0.79 CDC25A (0.51) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10451019 0.79 CDC25A (0.51) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL9436896 0.78 KDM4E (0.47) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL504643 0.78 MAOB (0.56) MAOBBCHEACHE
SCHEMBL22777375 0.76 TDP1 (0.58) MAOBBCHEACHEMEN1KMT2A
SCHEMBL30601913 0.76 TDP1 (0.58) MAOBBCHEACHEMEN1KMT2A

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
US-6191307-B1 Process for making benzoic acids ALBEMARLE CORPORATION 2001-02-20 US disclosed