SCHEMBL6460083

SCHEMBL6460083

COC[C@@H](C)C[C@H]1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
DPP4 P27487 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6459240 0.92 POLB (0.48) POLBKMT2ARAB9ATP53SMN1; SMN2
SCHEMBL6460376 0.88 POLB (0.46) POLBKMT2ATP53SMN1; SMN2HPGD
SCHEMBL6459875 0.85 POLB (0.48) POLBKMT2ARAB9ATP53SMN1; SMN2
SCHEMBL6456086 0.85 POLB (0.46) POLBKMT2ATP53SMN1; SMN2HPGD
SCHEMBL3866848 0.85 POLB (0.49) POLBKMT2ATP53SMN1; SMN2HPGD
SCHEMBL3876317 0.85 POLB (0.49) POLBKMT2ATP53SMN1; SMN2HPGD
SCHEMBL3867596 0.85 POLB (0.49) POLBKMT2ATP53SMN1; SMN2HPGD
SCHEMBL6452698 0.84 POLB (0.47) POLBKMT2ATP53SMN1; SMN2HPGD
SCHEMBL6452665 0.82 POLB (0.43) POLBKMT2ARAB9ATP53SMN1; SMN2
SCHEMBL3828456 0.81 POLB (0.55) POLBKMT2ARAB9ATP53SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572188-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2004054566-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed