SCHEMBL8360550

SCHEMBL8360550

Bc1ccc(C2(Cc3ccccc3)C(=O)N(Cc3ccc(F)cc3)Cc3cncn32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.55
NPSR1 Q6W5P4 1/20 0.37
CYP11B1 P15538 3/20 0.36
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
SCN9A Q15858 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLPP Q16740 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
SCD O00767 1/20 0.33
NR3C1 P04150 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL3570686 0.90 CYP11B2 (0.55) CYP11B2NPSR1CYP11B1SCN9ACHRM2
SCHEMBL3568461 0.82 CYP11B2 (0.61) CYP11B2NPSR1CYP11B1FNTAFNTB
SCHEMBL13316233 0.82 CYP11B2 (0.46) CYP11B2NPSR1CYP11B1CYP3A4FNTA
SCHEMBL3465432 0.75 CYP11B2 (0.55) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3465435 0.75 CYP11B2 (0.55) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3984392 0.74 CYP11B2 (0.58) CYP11B2NPSR1CYP11B1ALDH1A1POLB
SCHEMBL3466043 0.74 CYP11B2 (0.65) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3466041 0.74 CYP11B2 (0.65) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3464840 0.74 CYP11B2 (0.62) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3464837 0.74 CYP11B2 (0.62) CYP11B2CYP11B1FNTAFNTB

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