SCHEMBL13316233

SCHEMBL13316233

[C-]#[N+]c1ccc(C2(Cc3ccccc3)C(=O)N(Cc3ccccc3)Cc3cncn32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 2/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
CYP3A4 P08684 1/20 0.31
FNTA P49354 3/20 0.30
FNTB P49356 3/20 0.30
PGGT1B P53609 2/20 0.30
DHPS P49366 1/20 0.30
KCNH2 Q12809 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL13316234 0.89 CYP11B2 (0.37) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3568461 0.84 CYP11B2 (0.61) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3570686 0.82 CYP11B2 (0.55) CYP11B2CYP11B1CYP3A4NPSR1
SCHEMBL8360550 0.82 CYP11B2 (0.55) CYP11B2CYP11B1MEN1KMT2ACYP3A4
SCHEMBL3466041 0.75 CYP11B2 (0.65) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3466043 0.75 CYP11B2 (0.65) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3568308 0.73 CYP11B2 (0.49) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3566481 0.69 CYP11B2 (0.57) CYP11B2CYP11B1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL3571119 0.68 CYP11B2 (0.56) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3465432 0.67 CYP11B2 (0.55) CYP11B2CYP11B1FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed