SCHEMBL9206867

SCHEMBL9206867

COc1ccc2scc(CCN3CCCC(CN4CCc5cc6c(cc5CC4=O)OCO6)C3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 5/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MCHR1 Q99705 2/20 0.34
ADRA1A P35348 3/20 0.33
ADRA1D P25100 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 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
SCHEMBL9216452 0.94 MEN1 (0.36) MEN1KMT2AMCHR1ADRA1AHTR1A
SCHEMBL9213796 0.92 MTNR1A (0.41) MTNR1AMTNR1BMEN1KMT2AKCNH2
SCHEMBL9206494 0.92 MTNR1A (0.41) MTNR1AMTNR1BMEN1KMT2AMCHR1
SCHEMBL9216877 0.90 ACHE (0.35) MEN1KMT2AMCHR1ADRA1AHTR1A
SCHEMBL9206684 0.88 HTR1A (0.41) MTNR1AMEN1KMT2AHTR1A
SCHEMBL9214365 0.87 HCN4 (0.40) MTNR1AMTNR1BKCNH2HTR1ASLC6A4
SCHEMBL9205646 0.86 MEN1 (0.40) MTNR1AMTNR1BMEN1KMT2AMCHR1
SCHEMBL9205217 0.86 HCN4 (0.40) MEN1KMT2AKCNH2HTR1ASLC6A4
SCHEMBL9215793 0.86 HTR1A (0.39) MTNR1AMEN1KMT2AHTR1A
SCHEMBL9740732 0.85 MEN1 (0.46) MEN1KMT2AMCHR1HTR1ASLC6A4

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