SCHEMBL27636259

SCHEMBL27636259

BrCCCCCCC(CCCOCCCC(CCCCCCBr)c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ GLS O94925 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 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
SCHEMBL27636264 0.84 TACR1 (0.32) —
SCHEMBL30442907 0.80 ALDH1A1 (0.36) IDO1TDO2SLC6A2SLC6A4GLS
SCHEMBL20746911 0.76 CYP1A2 (0.45) IDO1TDO2LMNA
SCHEMBL23169104 0.76 CYP1A2 (0.45) IDO1TDO2LMNA
SCHEMBL20072419 0.75 CYP1A2 (0.44) IDO1TDO2LMNA
SCHEMBL4628953 0.71 TAAR1 (0.47) IDO1
SCHEMBL21142421 0.70 CYP2D6 (0.40) IDO1TDO2SLC6A2SLC6A4
SCHEMBL27636258 0.70 IDO1 (0.41) IDO1TDO2SLC6A2SLC6A4MGAM
SCHEMBL22306322 0.69 IDO1 (0.41) IDO1TDO2SLC6A2SLC6A4GAA
SCHEMBL27410794 0.68 RIPK1 (0.42) —

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
CN-1732152-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2006-02-08 — — CN disclosed
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