SCHEMBL3149457

SCHEMBL3149457

CCOC(=O)Oc1ccc2c(c1)CC2CNCCC(=O)N1CCc2cc(OC)c(OC)cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCB1 P08183 2/20 0.38
MMP8 P22894 2/20 0.38
ABCC1 P33527 1/20 0.38
MMP3 P08254 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36

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
Hydrochloric Acid SCHEMBL4253485 0.99 KMT2A (0.44) KMT2ADPP4DPP8MAPTMEN1
SCHEMBL3158931 0.93 KMT2A (0.45) KMT2ADPP4DPP8MAPTMEN1
Hydrochloric Acid SCHEMBL4252740 0.92 KMT2A (0.44) KMT2ADPP4DPP8MAPTMEN1
SCHEMBL3145228 0.90 KMT2A (0.55) KMT2ADPP4DPP8MAPTMEN1
Hydrochloric Acid SCHEMBL4250142 0.89 KMT2A (0.54) KMT2ADPP4DPP8MAPTMEN1
SCHEMBL3162393 0.88 ABCB1 (0.46) KMT2ADPP4DPP8MAPTMEN1
SCHEMBL3149429 0.87 KMT2A (0.42) KMT2ADPP4DPP8MAPTMEN1
SCHEMBL3163086 0.87 DPP4 (0.45) KMT2ADPP4DPP8MAPTMEN1
SCHEMBL3152625 0.87 DPP4 (0.43) KMT2ADPP4DPP8MAPTMEN1
Hydrochloric Acid SCHEMBL4247874 0.87 KMT2A (0.42) KMT2ADPP4DPP8MAPTMEN1

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-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed