SCHEMBL4729401

SCHEMBL4729401

COc1ccc(C(=O)C=CC23CC4CC(CC(C4)C2)C3)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NNMT P40261 2/20 0.47
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GPR183 P32249 7/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
SLC18A3 Q16572 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL4726425 1.00 MAOA (0.47) MAOAMAOBNNMTMKNK1MKNK2
SCHEMBL6093635 0.80 CNR2 (0.55) MAOAMAOBCNR2LMNAMEN1
SCHEMBL4728653 0.76 HPGDS (0.54)
SCHEMBL4731545 0.76 ALDH1A1 (0.46)
SCHEMBL4780927 0.76 ALDH1A1 (0.46)
SCHEMBL4729592 0.75 PDGFRB (0.42) CNR2KDM4EMEN1MAPTKMT2A
SCHEMBL4729406 0.75 PKM (0.46) CNR2LMNAKDM4EMEN1MAPT
SCHEMBL4728510 0.75 PKM (0.46) CNR2LMNAKDM4EMEN1MAPT
SCHEMBL5504502 0.75 ABCG2 (0.50) MAOBCNR2MEN1KMT2A
SCHEMBL1769995 0.74 TSHR (0.56) LMNAMEN1MAPTKMT2A

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
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed