SCHEMBL7822892

SCHEMBL7822892

O=C(O)c1ccccc1-c1ccccc1C(=O)N1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
TSHR P16473 3/20 0.73
RECQL P46063 1/20 0.73
POLB P06746 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.58
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MAPK10 P53779 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL16051336 0.87 ALDH1A1 (0.67) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL30498780 0.86 TSHR (0.97) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL22692601 0.86 TSHR (0.97) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL4827189 0.85 ALDH1A1 (0.69) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL22764320 0.83 HTT (0.66) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL10720608 0.81 TSHR (0.69) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL14882284 0.80 TSHR (0.68) L3MBTL1TSHRRECQLPOLBMEN1
SCHEMBL14882282 0.79 TSHR (0.62) TSHRRECQLPOLBMEN1KMT2A
SCHEMBL2136069 0.78 HPGD (0.71) TSHRRECQLPOLBMEN1KMT2A
SCHEMBL884737 0.78 TSHR (0.60) L3MBTL1TSHRRECQLPOLBMEN1

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