SCHEMBL20002234

SCHEMBL20002234

C=CC1(F)CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.34
NOS1 P29475 1/20 0.31

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
SCHEMBL20042246 0.87 TDO2 (0.37) TDO2NOS1
SCHEMBL20042273 0.83 TDO2 (0.41) TDO2NOS1
SCHEMBL20001907 0.81 TDO2 (0.41) TDO2NOS1
SCHEMBL20043557 0.79 TDO2 (0.37) TDO2NOS1
SCHEMBL20001778 0.79 TDO2 (0.37) TDO2NOS1
SCHEMBL20001913 0.78 TDO2 (0.38) TDO2NOS1
SCHEMBL20002555 0.77 TDO2 (0.36) TDO2NOS1
SCHEMBL20002073 0.75 TDO2 (0.39) TDO2NOS1
SCHEMBL19995846 0.75 TDO2 (0.39) TDO2NOS1
SCHEMBL20002079 0.75 TDO2 (0.34) TDO2NOS1

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
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 WO disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 WO disclosed