SCHEMBL4732085

SCHEMBL4732085

COc1ccncc1C(=O)/C=C/C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
CNR2 P34972 3/20 0.41
FAAH O00519 1/20 0.41
CYP3A4 P08684 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
P2RX7 Q99572 1/20 0.39
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 3/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CYP2D6 P10635 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 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
SCHEMBL5510873 0.79 ABCG2 (0.56) MEN1KMT2AP2RX7
SCHEMBL4729642 0.76 CNR2 (0.46) CNR2FAAHMEN1KMT2AP2RX7
SCHEMBL6092329 0.74 KMT2A (0.48) MEN1KMT2AP2RX7CYP17A1CYP19A1
SCHEMBL4728169 0.73 TSHR (0.56) CYP3A4MEN1KMT2AP2RX7CYP17A1
SCHEMBL1769995 0.73 TSHR (0.56) CYP3A4MEN1KMT2AP2RX7CYP17A1
SCHEMBL5509233 0.72 ABCG2 (0.52) MEN1KMT2A
SCHEMBL4728510 0.72 PKM (0.46) CNR2MEN1KMT2A
SCHEMBL4729401 0.72 MAOA (0.47) CNR2MEN1KMT2A
SCHEMBL4729406 0.72 PKM (0.46) CNR2MEN1KMT2A
SCHEMBL4726425 0.72 MAOA (0.47) CNR2MEN1KMT2A

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