SCHEMBL8697752

SCHEMBL8697752

CNC(=O)Nc1cc(N(C)C(=O)CCc2c[nH]c3ccccc23)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.53
CDK4 P11802 4/20 0.49
MC5R P33032 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
CCND1 P24385 3/20 0.43
CDK2 P24941 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
GLA P06280 1/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL8697249 0.90 GOT1 (0.60) GOT1CDK4MAPTALDH1A1CCND1
SCHEMBL8699800 0.86 CDK4 (0.50) GOT1CDK4MC5RMAPTALDH1A1
SCHEMBL8698886 0.85 CDK4 (0.56) CDK4MC5RMAPTALDH1A1CCND1
SCHEMBL8697853 0.80 CDK4 (0.63) CDK4MC5RMAPTALDH1A1CCND1
SCHEMBL8699518 0.79 ALDH1A1 (0.44) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL8701009 0.78 ALOX5 (0.46) MAPTALDH1A1RAB9AKMT2AMAPK1
SCHEMBL8695688 0.74 NOX1 (0.36) ALDH1A1NPSR1MAOA
SCHEMBL8697962 0.74 CDK4 (0.53) CDK4MC5RMAPTALDH1A1CCND1
SCHEMBL8998960 0.70 CDK4 (0.71) CDK4MC5RMAPTALDH1A1CCND1
SCHEMBL30579374 0.70 CDK4 (0.71) CDK4MC5RMAPTALDH1A1CCND1

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