SCHEMBL31260029

SCHEMBL31260029

CN1C(=O)CCc2cc(-c3cncc(N4CCC[C@@H]4C(C)(C)O[SiH2]C(C)(C)C)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 19/20 0.50
CYP11B2 P19099 19/20 0.50
CYP1A2 P05177 2/20 0.50
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL14780360 1.00 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14778942 1.00 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14780229 0.84 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL31259960 0.80 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14780179 0.80 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14779845 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14779849 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14780217 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14780424 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14780426 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1

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-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 EP disclosed