SCHEMBL7472750

SCHEMBL7472750

O=C1c2ccccc2OC=C(Cl)N1CCCN1CCC(c2ccccn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6169077 0.98 HTR1A (0.44) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL7471727 0.90 DRD4 (0.43) DRD4HTR1ADRD2DRD3
SCHEMBL6168817 0.90 DRD4 (0.43) DRD4HTR1ADRD2DRD3
SCHEMBL7464496 0.89 ADRA1D (0.45) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL7470809 0.88 HTR1A (0.46) HTR1A
SCHEMBL7469687 0.88 DRD4 (0.44) DRD4HTR1ADRD3
SCHEMBL7464061 0.83 DRD2 (0.42) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL7477179 0.82 HTR1A (0.65) HTR1ADRD2DRD3
SCHEMBL7473446 0.81 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9024845 0.80 CHRM1 (0.48) HTR1AADRA1AADRA1BDRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925288-B1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LTD (JP) 2002-09-25 EP disclosed
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
US-6114522-A DEPROTONIZING A BEZOXAZEPINE DERIVATIVE WITH A BASE, REACTING THE DEPROTONIZED PRODUCT WITH A PHOSPHATE HALIDE TO PRODUCE AN INTERMEDIATE, REACTING INTERMEDIATE WITH A COMPLEX OF HALOGEN AND TRIALKYL OR ARYL PHOSPHINE SUNTORY LIMITED (JP) 2000-09-05 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed