SCHEMBL7138174

SCHEMBL7138174

COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cc(C#N)ccc2F)cc1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.37
GPR6 P46095 4/20 0.35
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
CTSA P10619 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7139979 0.88 ALDH1A1 (0.40) EGLN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL5869099 0.86 EGLN2 (0.38) EGLN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL7142179 0.83 DHODH (0.34) DHODHALDH1A1KMT2AMEN1MAPT
SCHEMBL7141522 0.82 ALDH1A1 (0.42) EGLN2GPR6ALDH1A1KMT2AMEN1
SCHEMBL7145960 0.82 EGLN2 (0.36) EGLN2DHODHALDH1A1KMT2AMEN1
SCHEMBL7140010 0.81 MEN1 (0.36) EGLN2DHODHALDH1A1KMT2AMEN1
SCHEMBL7142038 0.81 HTT (0.36) EGLN2DHODHALDH1A1KMT2AMEN1
SCHEMBL7704394 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL7143926 0.76 DHODH (0.34) EGLN2DHODH
SCHEMBL7140101 0.75 KCNQ4 (0.36) EGLN2ALDH1A1KMT2AMEN1PTGDR2

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 4 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
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 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
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed