SCHEMBL9216452

SCHEMBL9216452

COc1ccc2c(CCN3CCCC(CN4CCc5cc6c(cc5CC4=O)OCO6)C3)csc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MCHR1 Q99705 4/20 0.34
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 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
SCHEMBL9216877 0.96 ACHE (0.35) MEN1KMT2AESR1ESR2MCHR1
SCHEMBL9206867 0.94 MTNR1A (0.39) MEN1KMT2AMCHR1HTR1ASLC6A4
SCHEMBL9205217 0.92 HCN4 (0.40) MEN1KMT2AHTR1ASLC6A4GAA
SCHEMBL9205646 0.92 MEN1 (0.40) MEN1KMT2AMCHR1NPC1RAB9A
SCHEMBL9215882 0.89 LTA4H (0.32) MEN1KMT2AHTR1A
SCHEMBL9206684 0.88 HTR1A (0.41) MEN1KMT2AHTR1A
SCHEMBL9216931 0.87 ACHE (0.36) MEN1KMT2AESR1ESR2HTR1A
SCHEMBL9210183 0.87 HCN4 (0.40) HTR1ASLC6A4GAAMAPT
SCHEMBL9206494 0.86 MTNR1A (0.41) MEN1KMT2AMCHR1HTR1ANPC1
SCHEMBL9213796 0.86 MTNR1A (0.41) MEN1KMT2AHTR1ASLC6A4GAA

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-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