SCHEMBL7138374

SCHEMBL7138374

O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(N3CCC(OCCO)CC3)c(-c3ccc(F)cc3)cc2N1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
GRM2 Q14416 5/20 0.55

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
SCHEMBL7139698 0.90 CYP3A4 (0.63) CYP3A4GRM2
SCHEMBL7141716 0.87 CYP3A4 (0.61) CYP3A4GRM2
SCHEMBL7141723 0.87 CYP3A4 (0.61) CYP3A4GRM2
SCHEMBL7146775 0.86 CYP3A4 (0.64) CYP3A4GRM2
SCHEMBL7141556 0.85 CYP3A4 (0.65) CYP3A4GRM2
SCHEMBL7141563 0.85 CYP3A4 (0.65) CYP3A4GRM2
SCHEMBL7146365 0.85 GRM2 (0.70) CYP3A4GRM2
SCHEMBL7138147 0.82 CYP3A4 (0.79) CYP3A4GRM2
SCHEMBL7139601 0.81 CYP3A4 (0.70) CYP3A4GRM2
SCHEMBL7148053 0.81 CYP3A4 (0.59) CYP3A4GRM2

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