SCHEMBL7101427

SCHEMBL7101427

O=CCCC1CCC(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
KDM1A O60341 4/20 0.43
LIPG Q9Y5X9 1/20 0.42
KCNH2 Q12809 1/20 0.42
BCHE P06276 1/20 0.40
TP53 P04637 1/20 0.40
FDFT1 P37268 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL7101475 0.87 MAOB (0.46) CYSLTR2CYSLTR1MRGPRX4MAOBMAOA
SCHEMBL7101436 0.81 CYSLTR2 (0.56) CYSLTR2CYSLTR1MRGPRX4MAOBMAOA
SCHEMBL10272647 0.78 MRGPRX4 (0.64) MRGPRX4MAOBMAOAKDM1ALIPG
SCHEMBL6464841 0.77 FDFT1 (0.42) CYSLTR2CYSLTR1MRGPRX4MAOBMAOA
SCHEMBL6464838 0.77 FDFT1 (0.42) CYSLTR2CYSLTR1MRGPRX4MAOBMAOA
SCHEMBL15635448 0.77 MRGPRX4 (0.56) MRGPRX4MAOBMAOAKDM1ALIPG
SCHEMBL6457722 0.75 FDFT1 (0.41) CYSLTR2CYSLTR1MRGPRX4MAOBMAOA
SCHEMBL6457727 0.75 FDFT1 (0.41) CYSLTR2CYSLTR1MRGPRX4MAOBMAOA
SCHEMBL27984510 0.74 AKR1C3 (0.39) MAOBMAOAKDM1ATP53
SCHEMBL8999827 0.74 MRGPRX4 (0.54) MRGPRX4MAOBMAOAKDM1ALIPG

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