SCHEMBL8420408

SCHEMBL8420408

O=C(NC12CC3CC(CC1C3)C2)c1cnn(-c2ccc(Cl)cc2)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.45
FAAH O00519 4/20 0.45
CNR1 P21554 2/20 0.45
ALKBH1 Q13686 1/20 0.39
ROCK2 O75116 3/20 0.38
EPHX2 P34913 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
CCR1 P32246 2/20 0.35

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
SCHEMBL8417480 0.81 CYP19A1 (0.40) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL8111487 0.78 CNR2 (0.55) CNR2FAAHCNR1MEN1KMT2A
SCHEMBL8111101 0.73 CNR2 (0.48) CNR2FAAHCNR1EPHX2MEN1
SCHEMBL13766918 0.73 CNR2 (0.63) CNR2FAAHCNR1EPHX2MAPT
SCHEMBL8122218 0.73 ALDH1A1 (0.46) CNR2FAAHCNR1EPHX2
SCHEMBL3067076 0.67 CNR2 (0.58) CNR2FAAHCNR1MAPTHTT
SCHEMBL14263139 0.67 CNR2 (0.50) CNR2CNR1
SCHEMBL13766740 0.67 CNR2 (0.54) CNR2FAAHCNR1EPHX2MAPT
SCHEMBL3076047 0.65 MAPK1 (0.51) CNR2FAAHCNR1EPHX2MAPT
SCHEMBL8107161 0.65 HSD11B1 (0.49) CNR2CNR1CCR1

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
US-5948777-A ANTIINFLAMMATORY AGENT SMITHKLINE BEECHAM CORPORATION (US) 1999-09-07 US disclosed