SCHEMBL6464563

SCHEMBL6464563

O=C1C[C@H](CI)CN1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
DPP4 P27487 2/20 0.49
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.45
SMAD3 P84022 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 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
SCHEMBL14661808 0.85 HPGD (0.53) HPGDDPP4POLBMEN1KMT2A
SCHEMBL8508142 0.85 HPGD (0.53) HPGDDPP4POLBMEN1KMT2A
SCHEMBL6453967 0.85 HPGD (0.53) HPGDDPP4POLBMEN1KMT2A
SCHEMBL6648103 0.85 DPP4 (0.52) HPGDDPP4POLBMEN1KMT2A
SCHEMBL6646350 0.85 DPP4 (0.52) HPGDDPP4POLBMEN1KMT2A
SCHEMBL3124428 0.84 HPGD (0.60) HPGDDPP4KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14662667 0.82 HPGD (0.51) HPGDDPP4POLBMEN1KMT2A
SCHEMBL3867596 0.81 POLB (0.49) HPGDDPP4POLBMEN1KMT2A
SCHEMBL3866848 0.81 POLB (0.49) HPGDDPP4POLBMEN1KMT2A
SCHEMBL3876317 0.81 POLB (0.49) HPGDDPP4POLBMEN1KMT2A

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 4 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