SCHEMBL8107161

SCHEMBL8107161

O=C(NC1C2CC3CC(C2)CC1C3)c1cnn(-c2ccc(F)cc2)c1OCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.49
CCR1 P32246 1/20 0.42
GAA P10253 1/20 0.42
CNR1 P21554 2/20 0.39
CNR2 P34972 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
SCHEMBL8123987 0.88 HSD11B1 (0.49) HSD11B1CNR2
SCHEMBL8111101 0.84 CNR2 (0.48) CCR1GAACNR1CNR2
SCHEMBL13766721 0.82 HSD11B1 (0.52) HSD11B1CNR1CNR2
SCHEMBL8416952 0.79 HSD11B1 (0.52) HSD11B1
SCHEMBL8111487 0.75 CNR2 (0.55) GAACNR1CNR2
SCHEMBL8130522 0.74 HSD11B1 (0.41) HSD11B1
SCHEMBL13766700 0.73 HSD11B1 (0.53) HSD11B1CNR1CNR2
SCHEMBL13766959 0.72 HSD11B1 (0.50) HSD11B1
SCHEMBL13766924 0.72 HTT (0.54) HSD11B1CNR2
SCHEMBL13766705 0.71 EPHX2 (0.47) HSD11B1CNR1CNR2

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 4 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 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