SCHEMBL4737072

SCHEMBL4737072

C[C@H](N)CCc1ccc2c(cnn2-c2cncnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.42
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL4853828 0.84 SMO (0.59) SMOHTR2AHTR2C
SCHEMBL4738893 0.76 SMO (0.47) SMO
SCHEMBL4736966 0.75 NR3C1 (0.58)
SCHEMBL4114416 0.75 NR3C1 (0.44) CYP11B2CYP11B1
SCHEMBL4784906 0.75 NR3C1 (0.49) SMO
SCHEMBL10770756 0.69 SLC6A2 (0.41)
SCHEMBL17892204 0.68 SMO (0.50) SMOCYP11B2HTR2A
Hydrochloric Acid SCHEMBL10771402 0.68 SLC6A2 (0.40)
SCHEMBL20180252 0.66 SMO (0.59) SMOCYP11B2
SCHEMBL29741071 0.65 CYP11B2 (0.55) CYP11B2CYP11B1

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-2008079073-A1 INDAZOLYL SULPHONAMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-07-03 WO disclosed