SCHEMBL7470322

SCHEMBL7470322

c1cnc(C2CCCNC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2A P28223 1/20 0.41
HPGDS O60760 1/20 0.41
CHEK1 O14757 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 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
SCHEMBL20609687 1.00 DRD2 (0.44) DRD2DRD3HTR2AHPGDSCHEK1
SCHEMBL29889400 0.88 HTR3A (0.42) HPGDS
SCHEMBL1741786 0.88 HTR3A (0.42) HPGDS
Hydrochloric Acid SCHEMBL2654549 0.86 HTR3A (0.41) HPGDS
SCHEMBL7896413 0.78 CHRNB2 (0.43)
SCHEMBL171370 0.78 CHEK1 (0.46) DRD2DRD3HTR2AHPGDSCHEK1
SCHEMBL11492677 0.78 CHEK1 (0.46) DRD2DRD3HTR2AHPGDSCHEK1
SCHEMBL15587840 0.78 MAP3K12 (0.43) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL28245182 0.78 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL2033253 0.78 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1

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 10 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
CN-1089760-C Process for production of 4-substituted-3-halogeno-1, 4-benzoxazepine derivative and salts thereof SUNTORY LTD (JP) 2002-08-28 CN 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
CN-1236363-A Process for production of 4-substituted-3-halogeno-1, 4-benzoxazepine derivative and salts thereof SUNTORY LTD (JP) 1999-11-24 CN disclosed
EP-0925288-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-06-30 EP disclosed
WO-1999003847-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-01-28 WO disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed