SCHEMBL7461529

SCHEMBL7461529

O=C1c2cc(Cl)ccc2OC=C(CCl)N1CCCCN1CCC=C(c2ncccn2)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.35
HTR1A P08908 1/20 0.34

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
SCHEMBL7463230 0.93 THRB (0.36) THRBKMT2AHTR1A
SCHEMBL7469014 0.90 HTR1A (0.40) HTR1A
SCHEMBL7466452 0.86 DRD2 (0.46) HTR1A
SCHEMBL7477689 0.86 DRD2 (0.36) HTR1A
SCHEMBL7469396 0.84 DRD2 (0.36) THRBKMT2AHTR1A
SCHEMBL7466512 0.84 DRD2 (0.37) THRBKMT2AHTR1A
SCHEMBL7471099 0.84
SCHEMBL7467773 0.82 HTR1A (0.41) HTR1A
SCHEMBL7477128 0.82 THRB (0.37) THRBKMT2AHTR1A
SCHEMBL7472845 0.81 DRD2 (0.33) KMT2AMEN1HTR1A

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-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed