SCHEMBL7140157

SCHEMBL7140157

CC(C)(C)OC(=O)Nc1cc(N2CCC(OCCO)CC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 4/20 0.37
CSF1R P07333 3/20 0.36
MAPK1 P28482 3/20 0.35
LIPG Q9Y5X9 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CTPS1 P17812 1/20 0.32
DRD2 P14416 1/20 0.32
GPR174 Q9BXC1 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7139736 0.88 MAPT (0.40) MAPTALDH1A1CSF1RMAPK1TDP1
SCHEMBL7703607 0.88 MAPT (0.40) MAPTALDH1A1CSF1RMAPK1LIPG
SCHEMBL7147347 0.87 MAPT (0.36) MAPTALDH1A1CSF1RMAPK1GPR174
SCHEMBL7139645 0.86 MAPT (0.43) MAPTALDH1A1CSF1RMAPK1TDP1
SCHEMBL7146607 0.83 MAPT (0.44) MAPTALDH1A1CSF1RMAPK1TDP1
SCHEMBL7141821 0.83 MAPT (0.39) MAPTALDH1A1CSF1RMAPK1TDP1
SCHEMBL7143246 0.81 ALDH1A1 (0.45) MAPTALDH1A1CSF1RMAPK1HTT
SCHEMBL7143075 0.81 MAPT (0.35) MAPTALDH1A1CSF1RMAPK1GPR174
SCHEMBL7142608 0.81 MAPT (0.35) MAPTALDH1A1CSF1RMAPK1HTT
SCHEMBL7142183 0.81 MAPT (0.38) MAPTALDH1A1MAPK1TP53HTT

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-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed