SCHEMBL7824367

SCHEMBL7824367

O=C(O)C1CCCCC1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.72
HTT P42858 2/20 0.72
KDM4E B2RXH2 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
POLB P06746 1/20 0.72
GAA P10253 2/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
GRK2 P25098 1/20 0.69
CASP6 P55212 1/20 0.69
CASP8 Q14790 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
FNTA P49354 1/20 0.65
FNTB P49356 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 2/20 0.61
GRM4 Q14833 1/20 0.60
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL19420106 0.84 HTT (0.72) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL7823539 0.83 MAPT (1.00) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL3917111 0.83 RAB9A (1.00) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL889076 0.83 HTT (0.54) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL7823332 0.81 TDP1 (0.73) HTTSMN1; SMN2POLBLMNATDP1
SCHEMBL23509616 0.80 RAB9A (0.64) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL12218175 0.80 POLB (0.70) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL19473737 0.80 RAB9A (0.64) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL31335388 0.80 RAB9A (0.72) RAB9AHTTKDM4ESMN1; SMN2POLB
SCHEMBL7828785 0.80 HTT (0.71) RAB9AHTTKDM4ESMN1; SMN2POLB

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed