SCHEMBL3235282

SCHEMBL3235282

COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(OC)c(OC)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.69
MTNR1B P49286 3/20 0.69
MAPT P10636 13/20 0.67
LMNA P02545 5/20 0.64
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 3/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
ALOX12 P18054 1/20 0.54
AKR1C2 P52895 1/20 0.54
NQO2 P16083 1/20 0.53

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
SCHEMBL3382808 0.90 MEN1 (0.61) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3227065 0.90 MTNR1A (0.77) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3227925 0.90 MTNR1A (0.69) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3262841 0.89 MAPT (0.56) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3232656 0.89 MAPT (0.63) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3382094 0.87 MTNR1A (0.72) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3230797 0.87 ATM (0.66) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL3228696 0.86 MTNR1A (0.71) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3264594 0.86 MTNR1A (0.71) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL3382767 0.84 KDM4E (0.56) MTNR1AMTNR1BMAPTLMNAMEN1

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 4 patents. 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 claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
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
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed