SCHEMBL3149531

SCHEMBL3149531

COc1cc2c(cc1C)CC2CNCCC(=O)N1CCc2cc(OC)c(OC)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
HCN4 Q9Y3Q4 1/20 0.43
NQO2 P16083 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 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 SCHEMBL4251956 0.99 DPP4 (0.45) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3149534 0.97 DPP4 (0.47) DPP4DPP8CHRM2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4249209 0.96 DPP4 (0.46) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3155041 0.95 DPP4 (0.49) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3144330 0.95 DPP4 (0.49) DPP4DPP8CHRM2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4248376 0.94 DPP4 (0.48) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3149736 0.87 DPP4 (0.46) DPP4DPP8MTNR1AMTNR1BKMT2A
Hydrochloric Acid SCHEMBL4250876 0.87 DPP4 (0.45) DPP4DPP8MTNR1AMTNR1BKMT2A
SCHEMBL3258959 0.85 DPP4 (0.44) DPP4DPP8HTR1ARAB9ASMN1; SMN2
SCHEMBL3152752 0.85 DPP4 (0.45) DPP4DPP8RAB9ASMN1; SMN2KMT2A

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