SCHEMBL6515031

SCHEMBL6515031

CCCCOc1cccc(CN(CCC(=O)O)Cc2c(F)ccc(C)c2F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.43
CYP2D6 P10635 6/20 0.43
NR1H3 Q13133 5/20 0.43
PLA2G4B P0C869 1/20 0.42
KCNH2 Q12809 1/20 0.41
HCRTR2 O43614 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL6510816 0.91 MEP1B (0.42) MEP1BCYP2D6NR1H3PLA2G4BKCNH2
SCHEMBL6509306 0.88 NR1H3 (0.40) MEP1BNR1H3
SCHEMBL6518975 0.88 FFAR1 (0.43) MEP1BNR1H3HCRTR2
SCHEMBL6509514 0.87 NR1H3 (0.40) MEP1BNR1H3
SCHEMBL6507818 0.86 KDM4E (0.38) MEP1B
SCHEMBL6511147 0.86 TSHR (0.47)
SCHEMBL6511871 0.85 PPARA (0.39)
SCHEMBL6516568 0.85 PPARA (0.41)
SCHEMBL6533434 0.84 BCL2L1 (0.37) MEP1BHCRTR2
SCHEMBL6531896 0.84 FFAR4 (0.48)

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed