SCHEMBL8699800

SCHEMBL8699800

CN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)c(NC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.50
GOT1 P17174 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
MAOA P21397 2/20 0.44
ADRA1D P25100 2/20 0.44
HTR1B P28222 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
HTR7 P34969 2/20 0.44

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
SCHEMBL8697752 0.86 GOT1 (0.53) CDK4GOT1MAPTALDH1A1KDM4E
SCHEMBL8698886 0.85 CDK4 (0.56) CDK4MAPTALDH1A1KDM4EMEN1
SCHEMBL8697249 0.84 GOT1 (0.60) CDK4GOT1MAPTALDH1A1MEN1
SCHEMBL8697853 0.81 CDK4 (0.63) CDK4MAPTALDH1A1HTR1AADRA2A
SCHEMBL8697962 0.75 CDK4 (0.53) CDK4MAPTALDH1A1KDM4EMEN1
SCHEMBL8998960 0.71 CDK4 (0.71) CDK4MAPTALDH1A1MEN1KMT2A
SCHEMBL30579374 0.71 CDK4 (0.71) CDK4MAPTALDH1A1MEN1KMT2A
SCHEMBL8701530 0.70 CDK4 (0.48) CDK4MAPTALDH1A1KDM4EMEN1
SCHEMBL8695756 0.70 CDK4 (0.45) CDK4MAPTALDH1A1KDM4EMEN1
SCHEMBL9854721 0.67 CDK4 (0.65) CDK4MAPTALDH1A1MEN1KMT2A

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-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed