SCHEMBL4763016

SCHEMBL4763016

Nc1cc(N)cc(N2C(=O)CC3(CCCC3)CC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 11/20 0.36
ADRA1B P35368 5/20 0.36
ADRA1A P35348 4/20 0.36
DRD2 P14416 3/20 0.35
ADRA1D P25100 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4763031 0.76 CA12 (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL11264773 0.73 SMN1; SMN2 (0.49) SMN1; SMN2HTR1AADRA1BADRA1AMEN1
SCHEMBL13949620 0.73 SMN1; SMN2 (0.57) SMN1; SMN2HTR1AADRA1BADRA1A
SCHEMBL11251498 0.71 SMN1; SMN2 (0.47) SMN1; SMN2HTR1AADRA1BADRA1AMEN1
SCHEMBL11253978 0.68 GAA (0.49) SMN1; SMN2HTR1AADRA1BADRA1A
SCHEMBL3379242 0.67 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL4998277 0.67 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL10299245 0.66 ALDH1A1 (0.37) SMN1; SMN2MEN1KMT2A
SCHEMBL2943787 0.65 ALDH1A1 (0.53) SMN1; SMN2
SCHEMBL9271889 0.65 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2

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
JP-2008287082-A LIQUID CRYSTAL ORIENTATION AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORP 2008-11-27 JP disclosed