SCHEMBL27636258

SCHEMBL27636258

Brc1cccc(C(CCCOCCCC(c2cccc(Br)c2)c2ccccc2Br)c2ccccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.41
▸ TDO2 P48775 2/20 0.41
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SLC6A9 P48067 2/20 0.32
▸ CTSA P10619 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ TACR1 P25103 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
SCHEMBL9899776 0.70 IDO1 (0.42) IDO1TDO2SIGMAR1SLC6A4HTR2A
SCHEMBL7784138 0.70 HRH1 (0.58) SIGMAR1SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2093300 0.70 IDO1 (0.43) IDO1TDO2MGAMGAASI
SCHEMBL27636259 0.70 IDO1 (0.36) IDO1TDO2MGAMGAASI
SCHEMBL8120556 0.69 SIGMAR1 (0.46) IDO1TDO2SIGMAR1CTSAHTR2A
SCHEMBL28483704 0.68 IDO1 (0.42) IDO1TDO2SLC18A3SIGMAR1SLC6A2
SCHEMBL6003039 0.68 IDO1 (0.42) IDO1TDO2CTSA
SCHEMBL11394543 0.68 IDO1 (0.50) IDO1TDO2HTR2AHRH1TACR1
SCHEMBL17295946 0.64 IDO1 (0.49) IDO1TDO2MGAMGAASI
SCHEMBL3939237 0.64 IDO1 (0.49) IDO1TDO2MGAMGAASI

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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