SCHEMBL5226815

SCHEMBL5226815

CCCC(F)OC(=O)N1CCC(CN2Cc3cncn3C(c3cccc(Br)c3)C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
FPR2 P25090 1/20 0.31
NOTCH1 P46531 4/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL3573680 0.85 FPR2 (0.45) MAPTFPR2NOTCH1
SCHEMBL27633432 0.83 CYP11B1 (0.42) CYP11B1CYP11B2MAPTTHRBLMNA
SCHEMBL3582097 0.81 CYP11B1 (0.45) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3568030 0.80 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL3573721 0.78 RORC (0.44) CYP11B1CYP11B2MAPTTHRBLMNA
SCHEMBL3572522 0.76 CYP11B1 (0.44) CYP11B1CYP11B2FPR2DRD2
Hydrochloric Acid SCHEMBL3569672 0.76 CYP11B1 (0.43) CYP11B1CYP11B2FPR2DRD2
SCHEMBL8358496 0.76 FPR2 (0.40) CYP11B1CYP11B2MAPTFPR2
SCHEMBL5959156 0.70 SLC6A4 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8360362 0.70 CYP11B1 (0.45) CYP11B1CYP11B2

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-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP claimed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP claimed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO claimed
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP disclosed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed