SCHEMBL29800699

SCHEMBL29800699

COC(=O)C(C)(C)CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(C)ccc32)CC1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.82
HRH1 P35367 9/20 0.82
HTR2C P28335 7/20 0.72
DRD2 P14416 1/20 0.61
DRD1 P21728 1/20 0.61
HTR2B P41595 1/20 0.61

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
SCHEMBL23242590 1.00 HTR2A (0.82) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL23242618 0.95 HTR2A (0.80) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL29800648 0.91 HTR2A (0.86) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL23242541 0.91 HTR2A (0.86) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL29800866 0.90 HTR2A (1.00) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL23242504 0.90 HTR2A (1.00) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL29800626 0.90 HTR2A (0.83) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL23242566 0.90 HTR2A (0.83) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL23242545 0.90 HTR2A (0.83) HTR2AHRH1HTR2CDRD2DRD1
SCHEMBL29893792 0.90 HTR2A (0.83) HTR2AHRH1HTR2CDRD2DRD1

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
CN-114929688-B 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2024-11-01 CN disclosed
EP-4048667-B1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANOIC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS ALAIRION INC (US) 2024-07-03 EP disclosed
EP-4048667-A1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS Alairion, Inc. (US) 2022-08-31 EP disclosed
CN-114929688-A 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2022-08-19 CN disclosed