SCHEMBL3158495

SCHEMBL3158495

COc1cc2c(cc1OC)CCN(C(=O)CCNCC1Cc3cccc(OC)c31)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.47
DPP4 P27487 1/20 0.47
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR183 P32249 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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 SCHEMBL4254227 0.99 DPP8 (0.46) DPP8DPP4KMT2ANPC1ALDH1A1
SCHEMBL3162664 0.88 KMT2A (0.47) DPP8DPP4KMT2ANPC1ALDH1A1
SCHEMBL3142744 0.87 DPP4 (0.46) DPP8DPP4KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4246054 0.87 KMT2A (0.46) DPP8DPP4KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4246212 0.86 DPP4 (0.45) DPP8DPP4KMT2ANPC1ALDH1A1
SCHEMBL3155062 0.86 DPP4 (0.45) DPP8DPP4KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4248392 0.85 DPP4 (0.45) DPP8DPP4KMT2ANPC1ALDH1A1
SCHEMBL3155041 0.85 DPP4 (0.49) DPP8DPP4KMT2ANPC1ALDH1A1
SCHEMBL3144330 0.85 DPP4 (0.49) DPP8DPP4KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4248376 0.84 DPP4 (0.48) DPP8DPP4KMT2ANPC1ALDH1A1

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