SCHEMBL7141765

SCHEMBL7141765

CN1CCN(c2cc(NC(=O)OC(C)(C)C)c(N)cc2C#Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 3/20 0.38
WDR5 P61964 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC2 Q92769 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7139847 0.89 PRKDC (0.41) POLBMEN1KMT2ANPSR1GAA
SCHEMBL7147119 0.87 ABL1 (0.38) MEN1KMT2ANPSR1GAANPC1
SCHEMBL7145867 0.86 WDR5 (0.44) MAPK1POLBMEN1KMT2AGRM5
SCHEMBL7141070 0.85 PTPN11 (0.37) POLBMEN1KMT2AHSD17B10NPSR1
SCHEMBL7141511 0.85 DDB1 (0.35) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL7140608 0.81 BRD9 (0.40) MEN1KMT2AHSD17B10NPC1RAB9A
SCHEMBL7138113 0.80 HSP90AA1 (0.40) MEN1KMT2AHSD17B10NPC1ALDH1A1
SCHEMBL7145926 0.79 AAK1 (0.41) GAAALDH1A1ABL1
SCHEMBL23606834 0.79 WDR5 (0.41) MAPK1MEN1KMT2AHSD17B10NPSR1
SCHEMBL30044351 0.79 WDR5 (0.41) MAPK1MEN1KMT2AHSD17B10NPSR1

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