SCHEMBL29597263

SCHEMBL29597263

O=C(Cc1cncc(-c2ccc(F)cc2)c1)N1CCOc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 3/20 0.52
HTR1A P08908 2/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
FAAH O00519 2/20 0.46
NAAA Q02083 2/20 0.46
DGAT1 O75907 1/20 0.45
AKT1 P31749 1/20 0.45
NOTUM Q6P988 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B2 P19099 2/20 0.42
RAB9A P51151 1/20 0.42
SCD5 Q86SK9 1/20 0.42
BRD4 O60885 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL24499909 1.00 DRD2 (0.52) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29598199 0.87 RAB9A (0.47) FAAHNAAADGAT1AKT1NOTUM
SCHEMBL27197584 0.87 RAB9A (0.47) FAAHNAAADGAT1AKT1NOTUM
SCHEMBL29597172 0.82 BRD4 (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL24499920 0.82 BRD4 (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29597745 0.82 NOTUM (0.49) DRD2DRD4AKT1NOTUMRAB9A
SCHEMBL24499811 0.82 NOTUM (0.49) DRD2DRD4AKT1NOTUMRAB9A
SCHEMBL24499508 0.80 ALDH1A1 (0.53) CYP11B2RAB9AL3MBTL1
SCHEMBL29597821 0.80 ALDH1A1 (0.53) CYP11B2RAB9AL3MBTL1
SCHEMBL24499460 0.80 DRD2 (0.62) DRD2DRD4DRD3HTR1AHTR2A

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-4255902-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER Orion Corporation (FI) 2023-10-11 EP claimed
CN-116724034-A 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer 奥赖恩公司 2023-09-08 CN claimed
WO-2022117920-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER ORION CORPORATION (FI) 2022-06-09 WO claimed
EP-4255902-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER Orion Corporation (FI) 2023-10-11 EP disclosed
CN-116724034-A 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer 奥赖恩公司 2023-09-08 CN disclosed
WO-2022117920-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER ORION CORPORATION (FI) 2022-06-09 WO disclosed