SCHEMBL24359477

SCHEMBL24359477

O=C1CN(CCCO)c2cc(-c3cccnc3)ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.67
CYP11B2 P19099 15/20 0.67
CYP1A2 P05177 5/20 0.51
CYP2C9 P11712 1/20 0.50
TBXAS1 P24557 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
TDP2 O95551 2/20 0.41
CYP19A1 P11511 4/20 0.41
CYP17A1 P05093 1/20 0.41
BRD4 O60885 2/20 0.39
BRD2 P25440 1/20 0.39

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
SCHEMBL1884654 0.81 CYP11B1 (0.65) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL1762438 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL1879120 0.74 CYP11B2 (0.64) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL6540315 0.71 PGR (0.49) CYP11B1CYP11B2TDP2
SCHEMBL24335288 0.71 CYP11B1 (0.43) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL4898332 0.70 KIF11 (0.51) CYP11B1CYP11B2TDP2
SCHEMBL748904 0.68 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL29849907 0.68 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL1883166 0.68 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL29849827 0.68 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1

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-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 WO disclosed