SCHEMBL8701530

SCHEMBL8701530

CN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.48
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MC5R P33032 1/20 0.42
CCND1 P24385 4/20 0.42
CDK2 P24941 3/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE6D O43924 1/20 0.41
GLA P06280 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
SCHEMBL8697962 0.82 CDK4 (0.53) CDK4GAAALDH1A1MC5RCCND1
SCHEMBL8698309 0.82 MLYCD (0.47) GAALMNAKDM4EMEN1KMT2A
SCHEMBL8701794 0.82 KMT2A (0.52) CDK4GAALMNAALDH1A1CCND1
SCHEMBL8697853 0.81 CDK4 (0.63) CDK4GAAALDH1A1MC5RCCND1
SCHEMBL8695080 0.79 MLYCD (0.41) LMNAALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL8695261 0.78 ALOX5 (0.45) GAALMNAALDH1A1KDM4E
SCHEMBL8792800 0.78 CDK4 (0.43) CDK4GAALMNAALDH1A1MC5R
SCHEMBL8698886 0.75 CDK4 (0.56) CDK4GAAALDH1A1MC5RCCND1
SCHEMBL8698422 0.74 MLYCD (0.35) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8695756 0.73 CDK4 (0.45) CDK4LMNAALDH1A1CCND1F2

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