SCHEMBL9533729

SCHEMBL9533729

COC(=O)Oc1cncn1C1c2ccccc2CCC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.34
CYP11B2 P19099 3/20 0.34
CYP3A4 P08684 2/20 0.33
TDO2 P48775 2/20 0.33
CCR6 P51684 1/20 0.31
USP2 O75604 1/20 0.31
HSD11B1 P28845 2/20 0.31
TSHR P16473 1/20 0.30
LIPE Q05469 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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 0.89 IDO1 (0.35) IDO1CYP11B2CYP3A4TSHR
SCHEMBL10596279 0.89 CYP11B2 (0.35) IDO1CYP11B2CYP3A4TDO2
SCHEMBL10517869 0.83 IDO1 (0.34) IDO1CYP11B2TDO2
SCHEMBL2819775 0.83 CYP11B2 (0.45) IDO1CYP11B2CYP3A4TDO2CCR6
SCHEMBL2819780 0.83 CYP11B2 (0.45) IDO1CYP11B2CYP3A4TDO2CCR6
SCHEMBL2822367 0.83 CYP11B2 (0.45) IDO1CYP11B2CYP3A4TDO2CCR6
SCHEMBL10515921 0.82 IDO1 (0.34) IDO1CYP11B2CYP3A4TDO2
SCHEMBL9535378 0.80 CYP11B2 (0.34) CYP11B2CCR6USP2HSD11B1TSHR
SCHEMBL10648754 0.79 CYP11B2 (0.41) IDO1CYP11B2CYP3A4TDO2
SCHEMBL9804750 0.78 MAPK1 (0.37) IDO1CYP11B2CYP3A4TDO2CCR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed