SCHEMBL8111487

SCHEMBL8111487

O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1OCc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.55
FAAH O00519 7/20 0.55
CNR1 P21554 4/20 0.55
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CASR P41180 4/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8111101 0.91 CNR2 (0.48) CNR2FAAHCNR1ALDH1A1HTT
SCHEMBL8122218 0.83 ALDH1A1 (0.46) CNR2FAAHCNR1ALDH1A1CASR
SCHEMBL13766918 0.81 CNR2 (0.63) CNR2FAAHCNR1ALDH1A1HTT
SCHEMBL8420408 0.78 CNR2 (0.45) CNR2FAAHCNR1HTTMEN1
SCHEMBL8123150 0.77 RIPK2 (0.52) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL3067076 0.76 CNR2 (0.58) CNR2FAAHCNR1ALDH1A1HTT
SCHEMBL3076047 0.75 MAPK1 (0.51) CNR2FAAHCNR1ALDH1A1HTT
SCHEMBL3687960 0.75 CASR (0.51) CNR2FAAHCNR1ALDH1A1HTT
SCHEMBL8107161 0.75 HSD11B1 (0.49) CNR2CNR1GAA
SCHEMBL3063433 0.75 TSHR (0.49) CNR2FAAHCNR1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979228-A4 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORP (US) 2000-05-03 EP claimed
EP-0979228-A1 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP claimed
WO-1998041519-A1 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-24 WO claimed
EP-0979228-A4 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORP (US) 2000-05-03 EP disclosed
EP-0979228-A1 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP disclosed
US-5948777-A ANTIINFLAMMATORY AGENT SMITHKLINE BEECHAM CORPORATION (US) 1999-09-07 US disclosed
WO-1998041519-A1 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-24 WO disclosed