SCHEMBL28826410

SCHEMBL28826410

O=CC(=O)c1c2ccccc2cn1CCCCCO

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 6/20 0.43
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL27951823 0.99 CNR2 (0.41) CNR2CNR1HRH3
SCHEMBL27799440 0.86 CNR2 (0.37) CNR2CNR1HRH3
SCHEMBL27670405 0.85 CNR2 (0.34) CNR2CNR1HRH3
SCHEMBL28054221 0.82 TDP1 (0.45) CNR2
SCHEMBL27612025 0.82 CNR1 (0.37) CNR2CNR1
Toluene SCHEMBL27879760 0.82 CNR2 (0.37) CNR2CNR1
SCHEMBL27926249 0.82 PTPN1 (0.34) CNR2
SCHEMBL28054209 0.82 USP2 (0.40)
SCHEMBL28054208 0.81 CNR2 (0.34) CNR2CNR1
SCHEMBL27997552 0.80 CREBBP (0.38) CNR2CNR1

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
CN-105263899-A Phenoxyalkylamine compound UNIV OSAKA NAT UNIV CORP 2016-01-20 CN disclosed