SCHEMBL3152425

SCHEMBL3152425

COc1cc2c(cc1OC)CCN(C(=O)CCC=O)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
PDE4D Q08499 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3157331 0.82 KMT2A (0.56) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3149402 0.81 ALDH1A1 (0.57) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3153213 0.80 KMT2A (0.52) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3153750 0.79 KMT2A (0.56) KMT2ANPC1ALDH1A1NPSR1MAPT
SCHEMBL13059438 0.77 KMT2A (0.68) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3150374 0.77 DPP4 (0.52) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL28263863 0.76 KMT2A (0.63) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL4245600 0.76 DPP4 (0.52) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7333685 0.75 KMT2A (0.65) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL19002254 0.75 MAPK1 (0.57) KMT2ANPC1ALDH1A1SMN1; SMN2NPSR1

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