SCHEMBL3264594

SCHEMBL3264594

COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.71
MTNR1B P49286 6/20 0.71
SNCA P37840 1/20 0.60
NQO2 P16083 2/20 0.60
MAPT P10636 8/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
HTT P42858 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTGS2 P35354 1/20 0.57
POLB P06746 3/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
ALOX12 P18054 2/20 0.55
CNR1 P21554 1/20 0.55
AKR1C2 P52895 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL3227065 0.93 MTNR1A (0.77) MTNR1AMTNR1BNQO2MAPTKMT2A
SCHEMBL3382094 0.90 MTNR1A (0.72) MTNR1AMTNR1BNQO2MAPTKMT2A
SCHEMBL3228696 0.89 MTNR1A (0.71) MTNR1AMTNR1BSNCANQO2MAPT
SCHEMBL3235282 0.86 MTNR1A (0.69) MTNR1AMTNR1BNQO2MAPTKMT2A
SCHEMBL3384642 0.85 MTNR1A (0.64) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL3227925 0.84 MTNR1A (0.69) MTNR1AMTNR1BNQO2MAPTKMT2A
SCHEMBL8946916 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2MAPTKMT2A
SCHEMBL31543713 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2MAPTKMT2A
SCHEMBL11090986 0.83 MTNR1A (0.52) MTNR1AMTNR1BSNCANQO2MAPT
SCHEMBL3384994 0.82 MAPT (0.68) 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 5 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
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed