SCHEMBL9216877

SCHEMBL9216877

COc1ccc2c(CCCN3CCCC(CN4CCc5cc6c(cc5CC4=O)OCO6)C3)csc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR1A P08908 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MCHR1 Q99705 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.33
HCN4 Q9Y3Q4 1/20 0.33

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
SCHEMBL9216452 0.96 MEN1 (0.36) ACHEMAOBMEN1KMT2AESR1
SCHEMBL9216931 0.92 ACHE (0.36) ACHEMAOBMAOAMEN1KMT2A
SCHEMBL9210183 0.92 HCN4 (0.40) HTR1ACHRNB2CHRNA4MAPTHCN4
SCHEMBL9206867 0.90 MTNR1A (0.39) MEN1KMT2AHTR1AMCHR1ADRA1A
SCHEMBL9205646 0.88 MEN1 (0.40) ACHEMAOBMAOAMEN1KMT2A
SCHEMBL9205217 0.88 HCN4 (0.40) MAOBMAOAMEN1KMT2AHTR1A
SCHEMBL9214365 0.86 HCN4 (0.40) HTR1ACHRNB2CHRNA4MAPTHCN4
SCHEMBL9216989 0.86 HTR1A (0.36) MEN1KMT2AHTR1APRMT5WDR77
SCHEMBL9215741 0.85 HTR1A (0.38) MEN1KMT2AHTR1APRMT5WDR77
SCHEMBL9215882 0.84 LTA4H (0.32) MEN1KMT2AHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed