SCHEMBL27633432

SCHEMBL27633432

O=C(O)N1CCC(CN2Cc3cncn3C(c3cccc(Br)c3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
RORC P51449 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CCR1 P32246 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCR2 P41597 1/20 0.31
NAMPT P43490 1/20 0.31
MMP2 P08253 1/20 0.31
RAMP1 O60894 2/20 0.31

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
SCHEMBL3582097 0.90 CYP11B1 (0.45) CYP11B1CYP11B2RORCHRH3RXFP1
Hydrochloric Acid SCHEMBL3568030 0.89 CYP11B1 (0.45) CYP11B1CYP11B2RORCHRH3RXFP1
SCHEMBL3573721 0.87 RORC (0.44) CYP11B1CYP11B2MAPTTHRBLMNA
SCHEMBL3572522 0.85 CYP11B1 (0.44) CYP11B1CYP11B2RORCRXFP1FNTA
Hydrochloric Acid SCHEMBL3569672 0.84 CYP11B1 (0.43) CYP11B1CYP11B2RORCRXFP1FNTA
SCHEMBL5226815 0.83 CYP11B1 (0.34) CYP11B1CYP11B2MAPTTHRBLMNA
SCHEMBL3577749 0.79 CYP11B1 (0.65) CYP11B1CYP11B2MAPTTHRBLMNA
Hydrochloric Acid SCHEMBL3565591 0.78 CYP11B1 (0.64) CYP11B1CYP11B2MAPTTHRBLMNA
SCHEMBL3569595 0.78 CYP11B1 (0.53) CYP11B1CYP11B2MAPTTHRBRORC
SCHEMBL8360362 0.78 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1688583-A Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2005-10-26 CN claimed
CN-100404535-C Organic compounds useful as medicaments for the treatment of aldosterone-mediated conditions NOVARTIS AG (CH) 2008-07-23 CN disclosed
CN-1688583-A Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2005-10-26 CN disclosed