SCHEMBL3385338

SCHEMBL3385338

COc1cc(C(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
MAPT P10636 8/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TRPV1 Q8NER1 2/20 0.52
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2C9 P11712 1/20 0.47

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 0.91 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3227925 0.90 MTNR1A (0.69) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3384642 0.89 MTNR1A (0.64) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3385128 0.85 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3384980 0.85 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3262841 0.84 MAPT (0.56) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3382278 0.83 MEN1 (0.54) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3381318 0.82 MAPT (0.70) MEN1KMT2AMAPTTDP1
SCHEMBL3235282 0.81 MTNR1A (0.69) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3262795 0.79 MEN1 (0.54) MEN1KMT2AMTNR1AMTNR1BMAPT

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