SCHEMBL3872061

SCHEMBL3872061

CC(c1ccccc1)n1nnc2ccc(C(c3ccc(Cl)cc3)n3cncn3)cc21

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.70
CYP11B1 P15538 1/20 0.70
CYP26A1 O43174 1/20 0.46

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
SCHEMBL3871739 0.89 CYP19A1 (0.76) CYP19A1CYP11B1CYP26A1
Rac-Vorozole SCHEMBL1552681 0.82 CYP19A1 (1.00) CYP19A1CYP11B1
[N-Methyl-11C]Vorozole SCHEMBL12171619 0.82 CYP19A1 (1.00) CYP19A1CYP11B1
Vorozole SCHEMBL29363602 0.82 CYP19A1 (1.00) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL29606650 0.82 CYP19A1 (1.00) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL13223107 0.82 CYP19A1 (1.00) CYP19A1CYP11B1
Vorozole SCHEMBL4554 0.82 CYP19A1 (1.00) CYP19A1CYP11B1
SCHEMBL14092716 0.81 CYP19A1 (0.62) CYP19A1CYP11B1CYP26A1
SCHEMBL3873803 0.81 CYP19A1 (0.67) CYP19A1CYP11B1CYP26A1
SCHEMBL3278049 0.81 CYP19A1 (0.65) CYP19A1CYP11B1CYP26A1

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
EP-1874304-B1 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-07-15 EP claimed