SCHEMBL3157331

SCHEMBL3157331

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 3/20 0.55
DPP8 Q6V1X1 1/20 0.53
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR183 P32249 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.50
ABCB1 P08183 1/20 0.49

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
SCHEMBL3149402 0.84 ALDH1A1 (0.57) KMT2ANPC1ALDH1A1DPP8RAB9A
SCHEMBL3153213 0.82 KMT2A (0.52) KMT2ANPC1ALDH1A1DPP8RAB9A
SCHEMBL3152425 0.82 KMT2A (0.52) KMT2ANPC1ALDH1A1DPP8RAB9A
SCHEMBL3153750 0.81 KMT2A (0.56) KMT2ANPC1ALDH1A1DPP8POLB
SCHEMBL521554 0.79 KMT2A (0.48) KMT2ANPC1ALDH1A1DPP8SMN1; SMN2
SCHEMBL13059438 0.79 KMT2A (0.68) KMT2ANPC1ALDH1A1DPP8RAB9A
SCHEMBL28263863 0.78 KMT2A (0.63) KMT2ANPC1ALDH1A1DPP8RAB9A
SCHEMBL7333685 0.77 KMT2A (0.65) KMT2ANPC1ALDH1A1DPP8RAB9A
SCHEMBL19002254 0.77 MAPK1 (0.57) KMT2ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4246029 0.77 NPC1 (0.61) KMT2ANPC1ALDH1A1DPP8RAB9A

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 3 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
WO-2009066041-A2 DERIVATIVES OF 1,2,4,5-TETRAHYDRO-3H-BENZAZEPINES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-05-28 WO 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