SCHEMBL6456086

SCHEMBL6456086

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
DPP4 P27487 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMAD3 P84022 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6460376 0.88 POLB (0.46) POLBDPP4KMT2AMEN1TP53
SCHEMBL6459875 0.88 POLB (0.48) POLBDPP4KMT2AMEN1TP53
SCHEMBL3866848 0.87 POLB (0.49) POLBDPP4KMT2AMEN1TP53
SCHEMBL3876317 0.87 POLB (0.49) POLBDPP4KMT2AMEN1TP53
SCHEMBL3867596 0.87 POLB (0.49) POLBDPP4KMT2AMEN1TP53
SCHEMBL6452698 0.86 POLB (0.47) POLBDPP4KMT2AMEN1TP53
SCHEMBL6460083 0.85 POLB (0.49) POLBDPP4KMT2AMEN1TP53
SCHEMBL6459240 0.84 POLB (0.48) POLBDPP4KMT2AMEN1TP53
SCHEMBL6452665 0.84 POLB (0.43) POLBDPP4KMT2AMEN1TP53
SCHEMBL6648103 0.83 DPP4 (0.52) POLBDPP4KMT2AMEN1TP53

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