SCHEMBL20002317

SCHEMBL20002317

OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(C1)C2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
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
SCHEMBL20002091 0.95 TDO2 (0.38) TDO2NOS1
SCHEMBL20042293 0.93 TDO2 (0.40) TDO2NOS1
SCHEMBL20002316 0.93 TDO2 (0.40) TDO2NOS1
SCHEMBL20002601 0.93 TDO2 (0.40) TDO2NOS1
SCHEMBL20042274 0.90 TDO2 (0.39) TDO2NOS1
SCHEMBL20002233 0.88 TDO2 (0.37) TDO2NOS1
SCHEMBL20001893 0.81 TDO2 (0.36) TDO2NOS1
SCHEMBL20002048 0.80 TDO2 (0.35) TDO2NOS1
SCHEMBL20002085 0.80 TDO2 (0.35) TDO2NOS1
SCHEMBL20002095 0.80 TDO2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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