SCHEMBL3872062

SCHEMBL3872062

Clc1ccc(C(c2ccc3nnn(CCc4ccccc4)c3c2)n2cncn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.66
CYP11B1 P15538 1/20 0.66
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP26A1 O43174 1/20 0.41
KMO O15229 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3873803 0.91 CYP19A1 (0.67) CYP19A1CYP11B1KDM4ECYP26A1TDP1
SCHEMBL3873165 0.86 CYP19A1 (0.71) CYP19A1CYP11B1TDP1
SCHEMBL3879141 0.84 CYP19A1 (0.72) CYP19A1CYP11B1
SCHEMBL12189214 0.83 CYP19A1 (0.71) CYP19A1CYP11B1
SCHEMBL27269267 0.82 CYP19A1 (0.56) CYP19A1CYP11B1NPC1MAPTRAB9A
Vorozole SCHEMBL4554 0.80 CYP19A1 (1.00) CYP19A1CYP11B1
Vorozole SCHEMBL29363602 0.80 CYP19A1 (1.00) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL13223107 0.80 CYP19A1 (1.00) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL29606650 0.80 CYP19A1 (1.00) CYP19A1CYP11B1
[N-Methyl-11C]Vorozole SCHEMBL12171619 0.80 CYP19A1 (1.00) CYP19A1CYP11B1

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