SCHEMBL3153236

SCHEMBL3153236

COc1cc2c(cc1OC)CCN(C(=O)CCN(CC1CCCC1)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
HCN4 Q9Y3Q4 1/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4B Q07343 6/20 0.38
PDE4D Q08499 3/20 0.38
NPC1 O15118 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
Hydrochloric Acid SCHEMBL4243289 0.99 CHRM2 (0.48) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3154135 0.98 CHRM2 (0.48) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4244565 0.95 CHRM2 (0.49) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4250550 0.93 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4250537 0.93 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3145945 0.88 CHRM2 (0.52) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4251399 0.86 CHRM2 (0.50) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL301711 0.85 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3154423 0.85 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4244379 0.84 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