SCHEMBL3384642

SCHEMBL3384642

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.64
MTNR1B P49286 2/20 0.64
TRPV1 Q8NER1 6/20 0.62
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
MAPT P10636 6/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL3384980 0.92 MEN1 (0.61) MTNR1AMTNR1BTRPV1KMT2AMEN1
SCHEMBL3227065 0.91 MTNR1A (0.77) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3382808 0.91 MEN1 (0.61) MTNR1AMTNR1BTRPV1KMT2AMEN1
SCHEMBL3385338 0.89 MEN1 (0.61) MTNR1AMTNR1BTRPV1KMT2AMEN1
SCHEMBL3382278 0.88 MEN1 (0.54) MTNR1AMTNR1BTRPV1KMT2AMEN1
SCHEMBL3228696 0.87 MTNR1A (0.71) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3382094 0.85 MTNR1A (0.72) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3385128 0.85 MEN1 (0.61) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3264594 0.85 MTNR1A (0.71) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3262841 0.83 MAPT (0.56) MTNR1AMTNR1BTRPV1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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