SCHEMBL3267375

SCHEMBL3267375

COc1cc2c(cc1OC)CCN(C(=O)CCNCC1Cc3cc(OC(=O)N4CCOCC4)ccc31)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FKBP1A P62942 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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 SCHEMBL4243050 0.99 SMN1; SMN2 (0.45) SMN1; SMN2DPP4DPP8HTTKMT2A
SCHEMBL3163086 0.93 DPP4 (0.45) SMN1; SMN2DPP4DPP8KMT2AMEN1
Hydrochloric Acid SCHEMBL4253272 0.92 DPP4 (0.44) SMN1; SMN2DPP4DPP8KMT2AMEN1
SCHEMBL3144868 0.89 DPP4 (0.41) SMN1; SMN2DPP4DPP8HTTKMT2A
SCHEMBL3146940 0.87 DPP4 (0.44) SMN1; SMN2DPP4DPP8KMT2ANPSR1
SCHEMBL3162393 0.86 ABCB1 (0.46) SMN1; SMN2DPP4DPP8KMT2AMEN1
SCHEMBL3152625 0.86 DPP4 (0.43) SMN1; SMN2DPP4DPP8KMT2AMEN1
SCHEMBL3158190 0.85 SMN1; SMN2 (0.46) SMN1; SMN2HTTKMT2AGAANPSR1
SCHEMBL3149457 0.85 KMT2A (0.45) SMN1; SMN2DPP4DPP8HTTKMT2A
Hydrochloric Acid SCHEMBL4247185 0.85 DPP4 (0.42) DPP4DPP8KMT2AMEN1

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