SCHEMBL9089488

SCHEMBL9089488

COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.78
CNR1 P21554 15/20 0.78
TP53 P04637 1/20 0.77
CYP3A4 P08684 1/20 0.77
HPGD P15428 1/20 0.77
ALOX15 P16050 1/20 0.77
TSHR P16473 1/20 0.77
MTOR P42345 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
PTGS2 P35354 1/20 0.56

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
SCHEMBL8932684 0.91 CNR2 (0.77) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL9089051 0.89 CNR2 (0.87) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL29426346 0.88 CNR2 (1.00) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL29448220 0.87 CNR2 (1.00) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL29426317 0.87 CNR2 (1.00) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL430254 0.87 CNR2 (1.00) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL29835924 0.87 CNR2 (1.00) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL8932634 0.79 CNR2 (0.88) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL8932661 0.79 CNR2 (1.00) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL10068292 0.78 CNR2 (0.85) CNR2CNR1TP53CYP3A4HPGD

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
US-5532237-A INTRAOCULAR FOR TREATMENT OF GLAUCOMA MERCK FROSST CANADA, INC. (CA) 1996-07-02 US claimed
US-5532237-A INTRAOCULAR FOR TREATMENT OF GLAUCOMA MERCK FROSST CANADA, INC. (CA) 1996-07-02 US disclosed