SCHEMBL3706115

SCHEMBL3706115

O=C1NCC(c2ccccc2)([N+](=O)[O-])CC1CF

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.30
CRBN Q96SW2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3712955 0.87 MAPT (0.32) CRBNMEN1CYP1A2POLBTSHR
SCHEMBL3707937 0.84 MEN1 (0.31) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL3705812 0.80
SCHEMBL3028296 0.69 OPRM1 (0.38) CRBNMEN1CYP1A2POLBTSHR
SCHEMBL3832335 0.66 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL11461558 0.63 AKR1C1 (0.39) MEN1KMT2A
SCHEMBL3023502 0.61 ALDH1A1 (0.36) KDM1AMEN1POLBTSHRKMT2A
SCHEMBL3023013 0.59 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL7894208 0.59 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL3023010 0.59 ALDH1A1 (0.37) MEN1KMT2A

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