SCHEMBL3153971

SCHEMBL3153971

COc1cc2c(cc1OC)CCN(C(=O)CCNCC1Cc3cc(OS(=O)(=O)C(F)(F)F)ccc31)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
NPC1 O15118 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HTR1D P28221 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MTNR1B P49286 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL4251356 0.99 KMT2A (0.41) KMT2ADPP4DPP8NPC1DRD2
SCHEMBL4538911 0.88 KMT2A (0.41) KMT2ADPP4DPP8DRD3ABCB1
Hydrochloric Acid SCHEMBL4248931 0.87 KMT2A (0.41) KMT2ADPP4DPP8DRD3ABCB1
SCHEMBL3159100 0.87 ABCB1 (0.45) KMT2ADPP4DPP8NPC1ABCB1
SCHEMBL3145228 0.86 KMT2A (0.55) KMT2ADPP4DPP8ABCB1ABCC1
SCHEMBL3162393 0.86 ABCB1 (0.46) KMT2ADPP4DPP8NPC1ABCB1
Hydrochloric Acid SCHEMBL4250142 0.85 KMT2A (0.54) KMT2ADPP4DPP8ABCB1ABCC1
SCHEMBL3149736 0.84 DPP4 (0.46) KMT2ADPP4DPP8ABCB1ABCC1
SCHEMBL3152752 0.84 DPP4 (0.45) KMT2ADPP4DPP8NPC1DRD2
SCHEMBL3163086 0.84 DPP4 (0.45) KMT2ADPP4DPP8ABCB1ABCC1

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