SCHEMBL4729642

SCHEMBL4729642

COc1ncccc1C(=O)/C=C/C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 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
SCHEMBL4732085 0.76 TGM2 (0.42) CNR2FAAHKMT2AMEN1P2RX7
SCHEMBL4728914 0.74 RAB9A (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4731777 0.74 RAB9A (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4726956 0.73 MEN1 (0.42) CNR2ALDH1A1FAAHKMT2AMEN1
SCHEMBL6092524 0.72 P2RX7 (0.50) CNR2ALDH1A1SMN1; SMN2FAAHKMT2A
SCHEMBL6092329 0.72 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL6092078 0.72 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KDM4EHTTP2RX7
SCHEMBL5510873 0.72 ABCG2 (0.56) SMN1; SMN2KMT2AMEN1HTTP2RX7
SCHEMBL4729401 0.72 MAOA (0.47) CNR2KMT2AMEN1KDM4E
SCHEMBL4726425 0.72 MAOA (0.47) CNR2KMT2AMEN1KDM4E

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