SCHEMBL3822956

SCHEMBL3822956

Brc1ccc(Cn2cncc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 1.00
CYP11B2 P19099 12/20 1.00
IDO1 P14902 7/20 0.79
HPGDS O60760 1/20 0.62
P2RX7 Q99572 1/20 0.50

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
SCHEMBL1501929 0.89 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1949527 0.86 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3823466 0.86 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1948768 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1951962 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3968209 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3968212 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3969042 0.82 CYP11B1 (0.74) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3972715 0.81 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL12544753 0.81 CYP11B1 (0.72) CYP11B1CYP11B2IDO1HPGDSP2RX7

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