SCHEMBL7707281

SCHEMBL7707281

O=C(O)Nc1cc(N2CCC3(CC2)OCCO3)c(-c2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 12/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 7/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
FPR1 P21462 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL7140985 0.88 ALDH1A1 (0.44) SMN1; SMN2GAAALDH1A1LMNAHPGD
SCHEMBL7704803 0.85 ALDH1A1 (0.41) SMN1; SMN2GAAALDH1A1LMNAMEN1
SCHEMBL7139674 0.74 ALDH1A1 (0.44) SMN1; SMN2GAAALDH1A1LMNAHPGD
SCHEMBL6607834 0.73 MAPT (0.45) SMN1; SMN2GAAALDH1A1LMNAMEN1
SCHEMBL7138095 0.73 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6166846 0.71 MAPT (0.59) SMN1; SMN2GAAALDH1A1LMNAMAPT
SCHEMBL6881721 0.71 KMT2A (0.42) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL7145991 0.70 ALDH1A1 (0.44) SMN1; SMN2GAAALDH1A1LMNAHPGD
SCHEMBL6074155 0.70 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1LMNAHPGD
SCHEMBL29948580 0.70 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1LMNAHPGD

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-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed