SCHEMBL7147347

SCHEMBL7147347

CC(C)(C)OC(=O)Nc1cc(N2CCC(OCCOC3CCCCO3)CC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
ALDH1A1 P00352 7/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
HCAR3 P49019 1/20 0.33
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
CSF1R P07333 2/20 0.31
GPR174 Q9BXC1 1/20 0.31
MEN1 O00255 2/20 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
SCHEMBL7143075 0.91 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7143905 0.89 MAPT (0.34) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7143903 0.89 MAPT (0.34) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7140157 0.87 MAPT (0.37) MAPTALDH1A1MAPK1CSF1RGPR174
SCHEMBL7144424 0.86 CHRM3 (0.36) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7143475 0.84 KMT2A (0.35) MAPTALDH1A1CYP1A2CYP2C9POLB
SCHEMBL7139736 0.83 MAPT (0.40) MAPTALDH1A1KMT2AMAPK1CSF1R
SCHEMBL7140551 0.81 HCAR3 (0.36) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7139645 0.81 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7146607 0.80 MAPT (0.44) MAPTALDH1A1POLBKMT2AL3MBTL1

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