SCHEMBL8484148

SCHEMBL8484148

CCOC(=O)CCC1(c2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
OPRM1 P35372 5/20 0.45
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
SLC22A1 O15245 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8485288 0.99 GAA (0.51) GAASLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL8485004 0.93 GAA (0.53) GAASLC6A4OPRM1OPRD1OPRK1
SCHEMBL434932 0.92 GAA (0.48) GAASLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL1807144 0.86 HSD11B1 (0.54) GAASLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL9181522 0.85 GAA (0.62) GAASLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL3545231 0.82 GAA (0.38) GAASLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL31650310 0.81 P2RX7 (0.46) GAASMN1; SMN2LMNAKMT2ANPSR1
SCHEMBL1805474 0.81 KAT2B (0.36) GAASLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL435377 0.80 SLC6A3 (0.51) SLC6A4SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL6803691 0.80 LMNA (0.44) GAAOPRM1SMN1; SMN2LMNAMEN1

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-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed