SCHEMBL2773045

SCHEMBL2773045

COc1c(C(C)(C)C)cc(-c2csc(C3CCOCC3)n2)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CNR2 P34972 8/20 0.42
CNR1 P21554 6/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2775310 0.85 CNR2 (0.58) NPC1RAB9ACNR2CNR1ALDH1A1
SCHEMBL2773193 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1GAAMAPK1
SCHEMBL2771749 0.81 CNR2 (0.55) NPC1RAB9ACNR2CNR1ALDH1A1
SCHEMBL2773042 0.80 CNR2 (0.43) NPC1RAB9ACNR2CNR1ALDH1A1
SCHEMBL13807216 0.78 HTT (0.46) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2772244 0.76 NPC1 (0.48) NPC1RAB9ACNR2CNR1ALDH1A1
SCHEMBL2773356 0.74 CNR2 (0.76) NPC1RAB9ACNR2CNR1ALDH1A1
SCHEMBL2771211 0.74 CNR2 (0.76) NPC1RAB9ACNR2CNR1ALDH1A1
Hydrochloric Acid SCHEMBL6525331 0.74 CNR2 (0.74) NPC1RAB9ACNR2CNR1ALDH1A1
SCHEMBL4318751 0.71 FAAH (0.34) CNR2ALDH1A1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 EP disclosed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 WO disclosed