SCHEMBL29836508

SCHEMBL29836508

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4c3ccn4COCC[Si](C)(C)C)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.43
▸ ESR2 Q92731 1/20 0.40
▸ ACACB O00763 1/20 0.38
▸ MAPT P10636 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ PORCN Q9H237 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32

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
SCHEMBL23762242 1.00 NR1H2 (0.43) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762243 0.90 NR1H2 (0.42) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23751124 0.90 HRH3 (0.36) HRH3PORCNF10ABCB1
SCHEMBL22802664 0.87 NR1H2 (0.42) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL29371186 0.87 NR1H2 (0.42) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762087 0.86 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL29368831 0.86 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23751283 0.85 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762153 0.84 NR1H2 (0.40) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762199 0.84 NR1H2 (0.40) NR1H2ESR2ACACBMAPTJAK2

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-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 — — EP disclosed
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