SCHEMBL4728892

SCHEMBL4728892

CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1n2CC

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.75
KDM4E B2RXH2 6/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
NPY5R Q15761 2/20 0.55
TSPO P30536 3/20 0.55
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RORC P51449 3/20 0.52

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
SCHEMBL22828645 0.87 CNR2 (0.60) CNR2KDM4EMAPTLMNAALDH1A1
SCHEMBL600862 0.86 CNR2 (1.00) CNR2ALDH1A1HPGD
SCHEMBL4778681 0.84 CNR2 (0.56) CNR2KDM4EMAPTLMNAALDH1A1
SCHEMBL10579016 0.84 KDM4E (0.67) CNR2KDM4EMAPTLMNAALDH1A1
SCHEMBL2734561 0.82 ALDH1A1 (0.78) CNR2KDM4EMAPTLMNAALDH1A1
SCHEMBL5662028 0.82 HPGD (0.72) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL7979578 0.82 KDM4E (0.68) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL30150496 0.82 KDM4E (0.68) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL11805763 0.82 CNR2 (0.53) CNR2KDM4EMAPTLMNAALDH1A1
SCHEMBL2600220 0.81 KDM4E (0.63) CNR2KDM4EMAPTLMNAALDH1A1

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed