SCHEMBL9329979

SCHEMBL9329979

CN1CCCCC1OC(=O)NC(C)(C)CO[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.30
FKBP1A P62942 1/20 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
SCHEMBL9345022 0.81 POLB (0.38) THRBFKBP1A
SCHEMBL9329952 0.80 SMN1; SMN2 (0.45)
SCHEMBL9332557 0.79 CHRM3 (0.37)
SCHEMBL9329947 0.78 MEN1 (0.35)
SCHEMBL9332542 0.76 BCHE (0.37)
SCHEMBL9333212 0.72 BCHE (0.44)
SCHEMBL9346142 0.71 POLB (0.39)
SCHEMBL9330747 0.69 SMN1; SMN2 (0.43)
SCHEMBL9333436 0.68 CHRM3 (0.36)
SCHEMBL9330153 0.67 EPHX1 (0.38) THRB

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-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed