SCHEMBL3707937

SCHEMBL3707937

COC[C@@H]1C[C@@](c2ccccc2)([N+](=O)[O-])CNC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3705812 0.91
SCHEMBL3712955 0.84 MAPT (0.32) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL3706115 0.84 KDM1A (0.30) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL3711675 0.77 MEN1 (0.33) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL3704892 0.68 MEN1 (0.31) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL3028296 0.66 OPRM1 (0.38) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL3023778 0.64 ALDH1A1 (0.34) MEN1POLBKMT2A
SCHEMBL3832335 0.63 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL3033557 0.62 ALDH1A1 (0.37) MEN1POLBKMT2A
SCHEMBL7897295 0.62 ALDH1A1 (0.37) MEN1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed