SCHEMBL3264690

SCHEMBL3264690

COc1cc(F)c2[nH]c(C)c(CC(N)=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.47
HTR1D P28221 1/20 0.40
HTR6 P50406 1/20 0.40
PLA2G2A P14555 13/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PTGS2 P35354 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3263047 0.83 MAPT (0.39) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL3261013 0.81 SIRT1 (0.39) AKR1C2KDM4EMEN1GAAMAPT
SCHEMBL3379855 0.81 MAP2 (0.47) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL3232335 0.80 HTR1D (0.61) AKR1C2HTR1DHTR6TAAR1MTNR1A
SCHEMBL3382968 0.78 ICMT (0.38) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL4245648 0.77 AKR1C2 (0.78) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL3262319 0.76 HTR1D (0.46) AKR1C2HTR1DHTR6TAAR1MTNR1A
SCHEMBL3636076 0.76 KDM4E (0.55) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL3382133 0.74 HTR1D (0.44) HTR1DHTR6TAAR1MTNR1AMTNR1B
SCHEMBL7956382 0.74 AKR1C2 (0.61) AKR1C2HTR1DHTR6PLA2G2APTGS2

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-2010012396-A1 5,6 SUBSTITUTED BENZAMIDE DERIVATIVES AS MODULATORS OF THE EP<SB>2 </SB>RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed