SCHEMBL9206604

SCHEMBL9206604

COc1ccc2[nH]cc(CCCN3CCC(CN4Cc5cc(OC)c(OC)cc5C4=O)C3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.55
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2A P28223 2/20 0.46

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
SCHEMBL9215429 0.86 HTR1A (0.47) HTR1AMEN1MAPTKMT2ASLC6A4
SCHEMBL9206755 0.85 HTR1D (0.43) HTR1AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL9213471 0.84 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3ADRA2A
SCHEMBL9215424 0.84 HTR1D (0.49) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9214068 0.81 HTR1D (0.42) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9215781 0.79 HTR1D (0.48) HTR1AMAPTSLC6A4ADRA1AHTR2A
SCHEMBL9216672 0.79 CHRNB2 (0.47) MEN1KMT2A
SCHEMBL9210499 0.78 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3ADRA2A
SCHEMBL9624897 0.78 HTR1A (0.52) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9214106 0.78 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3ADRA2A

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