SCHEMBL18673303

SCHEMBL18673303

CNS(=O)(=O)c1ccccc1-n1c(COC(=O)NCCO)nc2cc(C)c(C(=O)OCO/N=[N+](\[O-])N3CCCC3)c(C)c2c1=O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.74
▸ CNR2 P34972 1/20 0.74
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BCHE P06276 2/20 0.30
▸ ACHE P22303 2/20 0.30

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
SCHEMBL17694543 0.90 CNR1 (0.60) CNR1CNR2MEN1KMT2A
Sad448 SCHEMBL844484 0.86 CNR1 (1.00) CNR1CNR2MEN1KMT2A
SCHEMBL844333 0.84 CNR1 (0.90) CNR1CNR2
SCHEMBL17692388 0.83 CNR1 (0.86) CNR1CNR2
SCHEMBL17692331 0.81 CNR1 (0.90) CNR1CNR2MEN1KMT2A
SCHEMBL844174 0.80 CNR1 (0.87) CNR1CNR2MEN1KMT2A
Hydrochloric Acid SCHEMBL844735 0.79 CNR1 (0.86) CNR1CNR2MEN1KMT2A
SCHEMBL18673206 0.78 CNR1 (0.78) CNR1CNR2
SCHEMBL845014 0.77 CNR1 (0.80) CNR1CNR2
SCHEMBL17692387 0.77 CNR1 (0.77) CNR1CNR2

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-9604949-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension NOVARTIS AG (CH) 2017-03-28 — — US disclosed
Send feedback