SCHEMBL9204729

SCHEMBL9204729

COc1ccc2cc(CCN3CCC(COS(=O)(=O)c4ccc(C)cc4)C3)ccc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.43
HTR1A P08908 4/20 0.40
SLC6A4 P31645 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
STAT3 P40763 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL9738921 0.88 HTR1A (0.48) HTR1ASLC6A4KDM4EALDH1A1STAT3
SCHEMBL9204735 0.85 KDM2B (0.41) KDM2BHTR1ASLC6A4MAOAMAOB
SCHEMBL9739714 0.83 MEN1 (0.38) HTR1ASLC6A4
SCHEMBL9740195 0.80 DRD2 (0.43) HTR1ASLC6A4CA12CA1CA2
SCHEMBL9739469 0.79 ABCB1 (0.55) HTR1ASLC6A4ABCB1
SCHEMBL9211782 0.75 DHCR7 (0.51) KDM2BKDM4EABCB1
SCHEMBL9207731 0.75 SIGMAR1 (0.43) HTR1AACHE
SCHEMBL9216372 0.74 MEN1 (0.42) HTR1ASLC6A4KDM4EALDH1A1ACHE
Bromide SCHEMBL9206535 0.72 KDM2B (0.39) KDM2BHTR1ASLC6A4BCHEACHE
SCHEMBL10762123 0.72 HTR1A (0.56) HTR1ASLC6A4KDM4EMAOAMAOB

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