SCHEMBL8111101

SCHEMBL8111101

O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccc(F)cc2)c1OCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
FAAH O00519 5/20 0.48
CNR1 P21554 4/20 0.48
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
CCR1 P32246 1/20 0.42
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PABPC1 P11940 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL8111487 0.91 CNR2 (0.55) CNR2FAAHCNR1ALDH1A1GAA
SCHEMBL8107161 0.84 HSD11B1 (0.49) CNR2CNR1GAACCR1
SCHEMBL8122218 0.78 ALDH1A1 (0.46) CNR2FAAHCNR1ALDH1A1EPHX2
SCHEMBL13766918 0.74 CNR2 (0.63) CNR2FAAHCNR1ALDH1A1HTT
SCHEMBL8123987 0.73 HSD11B1 (0.49) CNR2EPHX2
SCHEMBL8420408 0.73 CNR2 (0.45) CNR2FAAHCNR1CCR1MEN1
SCHEMBL8417480 0.71 CYP19A1 (0.40) CCR1MEN1HTTKMT2ACYP17A1
SCHEMBL8116838 0.69 CNR2 (0.47) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL8132793 0.68 EPHX2 (0.49) CNR2CNR1EPHX2
SCHEMBL13766740 0.68 CNR2 (0.54) 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