SCHEMBL3819729

SCHEMBL3819729

COC(=O)CCc1cncn1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.78
CYP11B1 P15538 13/20 0.78
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
YTHDC1 Q96MU7 1/20 0.43

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
SCHEMBL3828183 0.88 CYP11B1 (0.81) CYP11B2CYP11B1
SCHEMBL9046214 0.88 CYP11B1 (0.60) CYP11B2CYP11B1GAARAB9AFNTA
SCHEMBL3822953 0.86 CYP11B1 (1.00) CYP11B2CYP11B1
SCHEMBL17544415 0.86 CYP11B1 (1.00) CYP11B2CYP11B1GAA
SCHEMBL9642312 0.86 CYP11B1 (1.00) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3873541 0.85 CYP11B2 (0.56) CYP11B2CYP11B1GAARAB9AFNTA
SCHEMBL3825172 0.83 CYP11B1 (1.00) CYP11B2CYP11B1FNTAFNTB
SCHEMBL7981213 0.82 CYP11B1 (0.73) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3821317 0.82 CYP11B1 (0.73) CYP11B2CYP11B1RAB9AFNTAFNTB
SCHEMBL3882851 0.76 CYP11B2 (0.56) CYP11B2CYP11B1GAARAB9AYTHDC1

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
WO-2009106640-A2 N-BENZYL IMIDAZOLE DERIVATIVES MAASTRICHT UNIVERSITY (NL) 2009-09-03 WO disclosed
EP-2095819-A1 N-benzyl imidazole derivatives and their use as aldosterone synthase inhibitors Maastricht University (NL) 2009-09-02 EP disclosed
EP-2095819-A1 N-benzyl imidazole derivatives and their use as aldosterone synthase inhibitors Maastricht University (NL) 2009-09-02 EP disclosed