SCHEMBL8698309

SCHEMBL8698309

CN(C(=O)CCc1ccccc1)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 5/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALOX5 P09917 1/20 0.37
NPY5R Q15761 1/20 0.37
MEN1 O00255 4/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGTR1 P30556 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CIT O14578 1/20 0.35

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
SCHEMBL8695080 0.94 MLYCD (0.41) MLYCDKDM4ELTB4R2ROCK2ROCK1
SCHEMBL8695261 0.93 ALOX5 (0.45) MLYCDKDM4ELTB4R2GAAALOX5
SCHEMBL8698422 0.87 MLYCD (0.35) MLYCDKDM4ELTB4R2HPGDROCK2
SCHEMBL8701530 0.82 CDK4 (0.48) KDM4EKMT2AGAAMEN1LMNA
SCHEMBL8698319 0.81 CIT (0.34) KMT2ALTB4R2ROCK2ROCK1MEN1
SCHEMBL2974138 0.79 AGTR1 (0.46) KMT2ALTB4R2GAAMEN1HTT
SCHEMBL9709582 0.78 IAPP (0.39) LTB4R2L3MBTL1AGTR1
SCHEMBL9709552 0.77 IAPP (0.40) LTB4R2AGTR1
SCHEMBL443484 0.77 LTB4R2 (0.47) LTB4R2AGTR1
SCHEMBL8699095 0.77 MLYCD (0.64) MLYCDKDM4EKMT2AGAAHPGD

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