SCHEMBL3227925

SCHEMBL3227925

COc1ccc2[nH]c(C)c(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.69
MTNR1B P49286 4/20 0.69
MAPT P10636 12/20 0.66
MEN1 O00255 9/20 0.66
KMT2A Q03164 9/20 0.66
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
ALOX12 P18054 2/20 0.54
AKR1C2 P52895 1/20 0.54
NQO2 P16083 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 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
SCHEMBL3385338 0.90 MEN1 (0.61) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3235282 0.90 MTNR1A (0.69) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3227065 0.88 MTNR1A (0.77) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3381318 0.87 MAPT (0.70) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL3382094 0.85 MTNR1A (0.72) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3228696 0.84 MTNR1A (0.71) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3264594 0.84 MTNR1A (0.71) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL8946916 0.82 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL31543713 0.82 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3382808 0.81 MEN1 (0.61) MTNR1AMTNR1BMAPTMEN1KMT2A

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