SCHEMBL7459876

SCHEMBL7459876

O=C1c2ccccc2OC=CN1CCCCN1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
DRD5 P21918 1/20 0.41
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL7470315 0.82 HTR1A (0.61) DRD2DRD3ALDH1A1HTR1AHTR7
SCHEMBL7464961 0.81 HTR1A (0.60) DRD2DRD3MAPTMAPK1HTR1A
SCHEMBL7476443 0.81 HTR1A (0.46) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL7670715 0.81 KCNH2 (0.56) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL7459884 0.78 HTR1A (0.41) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL17005627 0.77 HRH4 (0.62) PTK2HRH4DRD2DRD3ALDH1A1
SCHEMBL7469341 0.77 HTR1A (0.44) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL7470210 0.75 HTT (0.44) DRD2DRD3HTR1AHTR7DRD5
SCHEMBL7465959 0.74 HTR7 (0.64) DRD2DRD3ALDH1A1HTR1AHTR7
SCHEMBL5140856 0.74 HRH4 (0.66) PTK2HRH4DRD2DRD3ALDH1A1

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