SCHEMBL8499481

SCHEMBL8499481

O=C(COc1ccccc1)COc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.79

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
Trifluoroacetic Acid SCHEMBL6041558 0.95 REN (0.71) REN
SCHEMBL6041541 0.89 REN (0.94) REN
Trifluoroacetic Acid SCHEMBL6041503 0.88 REN (0.69) REN
SCHEMBL7549811 0.88 REN (1.00) REN
Bicarbonate SCHEMBL7547904 0.88 REN (0.80) REN
Bicarbonate SCHEMBL7550821 0.87 REN (0.69) REN
SCHEMBL6951759 0.86 REN (0.79) REN
Trifluoroacetic Acid SCHEMBL6043100 0.86 REN (0.81) REN
Trifluoroacetic Acid SCHEMBL6043069 0.86 REN (0.84) REN
SCHEMBL6042812 0.86 REN (0.81) REN

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
WO-1999012532-A2 PIPERIDINE DERIVATIVES AGAINST MALARIA F.HOFFMANN-LA ROCHE AG (CH) 1999-03-18 WO claimed