SCHEMBL18637396

SCHEMBL18637396

CC(C)(O)C(=N)/C=C(\O)NC(=O)C(C)(C)S(=O)(=O)C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.44
CNR1 P21554 1/20 0.38

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
SCHEMBL18637045 0.87 CNR2 (0.44) CNR2CNR1
SCHEMBL18637123 0.86 CNR2 (0.45) CNR2CNR1
SCHEMBL18637385 0.84 CNR2 (0.47) CNR2CNR1
SCHEMBL15492716 0.79 CNR2 (0.42) CNR2CNR1
SCHEMBL18433760 0.73 CNR2 (0.44) CNR2CNR1
SCHEMBL351268 0.71 CNR2 (0.51) CNR2CNR1
SCHEMBL766694 0.70 CNR2 (0.46) CNR2CNR1
SCHEMBL12519424 0.70 CNR2 (0.42) CNR2CNR1
SCHEMBL469313 0.66 CNR2 (0.45) CNR2CNR1
SCHEMBL18433599 0.66

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
EP-2997027-B1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CENTREXION THERAPEUTICS CORP (US) 2017-03-15 EP disclosed