SCHEMBL3227065

SCHEMBL3227065

COc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.77
MTNR1B P49286 4/20 0.77
MAPT P10636 10/20 0.66
KMT2A Q03164 8/20 0.66
MEN1 O00255 7/20 0.66
HTT P42858 3/20 0.66
TDP1 Q9NUW8 1/20 0.66
POLB P06746 4/20 0.64
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
AKR1C2 P52895 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALOX12 P18054 2/20 0.59
NQO2 P16083 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL3382094 0.94 MTNR1A (0.72) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3264594 0.93 MTNR1A (0.71) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3228696 0.93 MTNR1A (0.71) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3384642 0.91 MTNR1A (0.64) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3235282 0.90 MTNR1A (0.69) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3384994 0.88 MAPT (0.68) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3227925 0.88 MTNR1A (0.69) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL8946916 0.87 MTNR1A (1.00) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL31543713 0.87 MTNR1A (1.00) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL18222560 0.85 MTNR1A (0.78) MTNR1AMTNR1BMAPTKMT2AMEN1

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