SCHEMBL3382808

SCHEMBL3382808

COc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 6/20 0.58
LMNA P02545 3/20 0.58
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
TRPV1 Q8NER1 3/20 0.54
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
TLR7 Q9NYK1 2/20 0.49
TLR8 Q9NR97 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TLR9 Q9NR96 1/20 0.48
HTT P42858 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
SCHEMBL3262841 0.93 MAPT (0.56) MEN1KMT2AMAPTLMNAMTNR1A
SCHEMBL3385338 0.91 MEN1 (0.61) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL3384642 0.91 MTNR1A (0.64) MEN1KMT2AMAPTLMNAMTNR1A
SCHEMBL3235282 0.90 MTNR1A (0.69) MEN1KMT2AMAPTLMNAMTNR1A
SCHEMBL3382278 0.87 MEN1 (0.54) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL3384980 0.87 MEN1 (0.61) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL3232656 0.85 MAPT (0.63) MEN1KMT2AMAPTLMNAMTNR1A
SCHEMBL3385128 0.85 MEN1 (0.61) MEN1KMT2AMAPTLMNAMTNR1A
SCHEMBL3230797 0.82 ATM (0.66) MEN1KMT2AMAPTLMNANPC1
SCHEMBL3227065 0.81 MTNR1A (0.77) MEN1KMT2AMAPTLMNAMTNR1A

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