SCHEMBL3385128

SCHEMBL3385128

COc1ccccc1C(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 14)

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 12/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 3/20 0.53
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3262795 0.89 MEN1 (0.54) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3261766 0.88 MEN1 (0.53) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3382755 0.85 POLB (0.53) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3385338 0.85 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3382808 0.85 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3384642 0.85 MTNR1A (0.64) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3382527 0.81 MEN1 (0.52) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3384980 0.81 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3382413 0.80 MAPT (0.50) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL3382278 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