SCHEMBL10285141

SCHEMBL10285141

O=C1O[C@H]2CC3CC(C2)C[C@H]1C3

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL22733566 1.00 TSHR (0.32) TSHR
SCHEMBL20857233 1.00 TSHR (0.32) TSHR
SCHEMBL14791314 1.00 TSHR (0.32) TSHR
SCHEMBL15858403 1.00 TSHR (0.32) TSHR
SCHEMBL14783023 1.00 TSHR (0.32) TSHR
SCHEMBL112482 1.00 TSHR (0.32) TSHR
SCHEMBL15467069 1.00 TSHR (0.32) TSHR
SCHEMBL22821367 0.87 MEN1 (0.31)
SCHEMBL3805311 0.85
SCHEMBL23519077 0.75

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-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed