SCHEMBL9204735

SCHEMBL9204735

COc1ccc2cc(CCN3CCC(COS(=O)(=O)c4cc(O)ccc4C)C3)ccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 6/20 0.41
HTR1A P08908 3/20 0.36
SLC6A4 P31645 3/20 0.36
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCB1 P08183 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CDK16 Q00536 1/20 0.33
DYRK1A Q13627 1/20 0.33
SLC2A1 P11166 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
SCHEMBL9204729 0.85 KDM2B (0.43) KDM2BHTR1ASLC6A4MAOAMAOB
SCHEMBL9738921 0.73 HTR1A (0.48) HTR1ASLC6A4KMT2AABCB1
SCHEMBL9739469 0.71 ABCB1 (0.55) HTR1ASLC6A4ABCB1
SCHEMBL9211782 0.71 DHCR7 (0.51) KDM2BABCB1
Bromide SCHEMBL9206535 0.70 KDM2B (0.39) KDM2BHTR1ASLC6A4ABCB1
SCHEMBL9212460 0.69 BCHE (0.49) KMT2AMAOAMAOBSLC2A1
SCHEMBL9739714 0.69 MEN1 (0.38) HTR1ASLC6A4KMT2A
SCHEMBL9214315 0.68 ABCB1 (0.56) HTR1ASLC6A4ABCB1
SCHEMBL9209353 0.67 KDM2B (0.44) KDM2BKMT2AMAOAMAOB
SCHEMBL9211699 0.67 KDM2B (0.44) KDM2BKMT2AABCB1

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 1 patent. 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