SCHEMBL7101475

SCHEMBL7101475

O=CCCC1CCC(c2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
MAOA P21397 1/20 0.46
KCNH2 Q12809 1/20 0.45
KDM1A O60341 2/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
TNKS2 Q9H2K2 1/20 0.42
BCHE P06276 1/20 0.41
GRIN1 Q05586 3/20 0.41
NR4A2 P43354 1/20 0.40
FFAR1 O14842 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL7101427 0.87 CYSLTR2 (0.51) MAOBMAOAKCNH2KDM1ABCHE
SCHEMBL23364576 0.86 CYSLTR2 (0.53) MAOBMAOAKCNH2KDM1ATNKS2
SCHEMBL23364801 0.82 KCNH2 (0.49) MAOBKCNH2KDM1ATNKS2BCHE
SCHEMBL23380025 0.82 KDM1A (0.48) MAOBMAOAKCNH2KDM1ATNKS2
SCHEMBL29932805 0.82 MAOB (0.50) MAOBMAOAKCNH2KDM1ATNKS2
SCHEMBL7098576 0.82 MAOB (0.50) MAOBMAOAKCNH2KDM1ATNKS2
SCHEMBL23379988 0.81 KCNH2 (0.47) MAOBMAOAKCNH2KDM1ATNKS2
SCHEMBL6583019 0.80 MAOB (0.56) MAOBMAOAKCNH2KDM1ATNKS2
SCHEMBL23364632 0.79 KDM1A (0.46) MAOBKCNH2KDM1ATNKS2BCHE
SCHEMBL29932780 0.77 KDM1A (0.44) MAOBKCNH2KDM1ATNKS2BCHE

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-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed