SCHEMBL28052335

SCHEMBL28052335

Cc1cnn(Cc2ccc(Cn3cncc3CCOC=O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.42
CYP11B2 P19099 13/20 0.42
KLKB1 P03952 6/20 0.38
KCNH2 Q12809 1/20 0.36
KLK1 P06870 1/20 0.36

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
SCHEMBL28052255 0.73 KLKB1 (0.36) KLKB1KLK1
SCHEMBL16486803 0.72 KLKB1 (0.48) KLKB1KCNH2KLK1
SCHEMBL16246788 0.70 CYP11B1 (0.49) CYP11B1CYP11B2KLKB1KLK1
SCHEMBL14671613 0.69 LMNA (0.39) KLKB1KLK1
SCHEMBL15759268 0.69 KLKB1 (0.51) KLKB1KLK1
SCHEMBL27981466 0.67 TBXAS1 (0.33) CYP11B1CYP11B2
SCHEMBL3822319 0.67 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL11918416 0.67 KCNH2 (0.60) CYP11B1CYP11B2KLKB1KCNH2
SCHEMBL28052788 0.67 KLKB1 (0.47) KLKB1KLK1
SCHEMBL19068681 0.66 KLKB1 (0.47) KLKB1KLK1

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
CN-105452240-A Heterocyclic derivates KALVISTA PHARMACEUTICALS LTD 2016-03-30 CN disclosed