SCHEMBL3145228

SCHEMBL3145228

CCOc1ccc2c(c1)CC2CNCCC(=O)N1CCc2cc(OC)c(OC)cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ABCB1 P08183 3/20 0.46
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARD Q03181 1/20 0.41
TP53 P04637 1/20 0.41
ABCC1 P33527 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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 SCHEMBL4250142 0.99 KMT2A (0.54) KMT2AABCB1MAPTMEN1DPP4
SCHEMBL3149457 0.90 KMT2A (0.45) KMT2AABCB1MAPTMEN1DPP4
SCHEMBL3162393 0.89 ABCB1 (0.46) KMT2AABCB1MAPTMEN1DPP4
Hydrochloric Acid SCHEMBL4243341 0.89 MAPT (0.44) KMT2AABCB1MAPTMEN1DPP4
Hydrochloric Acid SCHEMBL4253485 0.89 KMT2A (0.44) KMT2AABCB1MAPTMEN1DPP4
SCHEMBL3159100 0.88 ABCB1 (0.45) KMT2AABCB1MAPTMEN1DPP4
SCHEMBL3149736 0.87 DPP4 (0.46) KMT2AABCB1DPP4DPP8GAA
SCHEMBL3149429 0.87 KMT2A (0.42) KMT2AABCB1MAPTMEN1DPP4
SCHEMBL3152752 0.87 DPP4 (0.45) KMT2AABCB1MAPTDPP4DPP8
SCHEMBL3163086 0.87 DPP4 (0.45) KMT2AABCB1MAPTMEN1DPP4

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