SCHEMBL3142801

SCHEMBL3142801

COc1cc2c(cc1OC)CCN(C(=O)CCN(C)CC1Cc3c1cc(OC)c(OC)c3OC)CC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
SLC6A4 P31645 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
HCN4 Q9Y3Q4 1/20 0.49
DRD1 P21728 3/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
MTNR1B P49286 1/20 0.38

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
Fumaric Acid SCHEMBL4254252 0.95 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4254247 0.95 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4243074 0.90 CHRM2 (0.52) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4251186 0.90 CHRM2 (0.52) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3162817 0.89 DRD3 (0.46) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4246618 0.89 DRD3 (0.46) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL301711 0.88 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3154423 0.88 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4244379 0.87 CHRM2 (0.61) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4246608 0.87 CHRM2 (0.61) CHRM2HTR1ASLC6A4DRD3KCNH2

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