SCHEMBL10517869

SCHEMBL10517869

COC(=O)Oc1cncn1C1c2ccccc2CNC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.34
CYP11B2 P19099 1/20 0.34
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDO2 P48775 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL9533065 0.85 IDO1 (0.35) IDO1CYP11B2MAPK1ALDH1A1MAPT
SCHEMBL9533729 0.83 IDO1 (0.34) IDO1CYP11B2TDO2
SCHEMBL10387930 0.83 CYP11B2 (0.45) IDO1CYP11B2MAPK1ALDH1A1MAPT
SCHEMBL10515921 0.82 IDO1 (0.34) IDO1CYP11B2TDO2
SCHEMBL10699956 0.73 CYP11B2 (0.36) IDO1CYP11B2MAPK1ALDH1A1MAPT
SCHEMBL27277597 0.73 CYP11B2 (0.36) IDO1CYP11B2MAPK1ALDH1A1MAPT
SCHEMBL9652712 0.73 IDO1 (0.41) IDO1CYP11B2MAPK1TDO2
SCHEMBL10517057 0.72 IDO1 (0.34) IDO1ALDH1A1MAPTTDO2
SCHEMBL10596279 0.72 CYP11B2 (0.35) IDO1CYP11B2TDO2
SCHEMBL10516079 0.68 TDO2 (0.34) IDO1TDO2

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-0305332-A2 Imidazole derivative CIBA-GEIGY AG (CH) 1989-03-01 EP claimed