SCHEMBL8360362

SCHEMBL8360362

Bc1cccc(C2C(=O)N(CC3CC3)Cc3cncn32)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 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
SCHEMBL8358468 0.93 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3582097 0.87 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL3568030 0.86 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL13316220 0.84 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3581293 0.84 CYP11B2 (0.57) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL8357162 0.84 CYP11B1 (0.41) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3572827 0.83 CYP11B2 (0.56) CYP11B1CYP11B2KCNH2
SCHEMBL3573721 0.82 RORC (0.44) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL8358456 0.81 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTB
SCHEMBL3572522 0.81 CYP11B1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed