SCHEMBL6453967

SCHEMBL6453967

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
DPP4 P27487 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
BRD4 O60885 1/20 0.47
CYP2D6 P10635 1/20 0.47
SMAD3 P84022 1/20 0.47
ATM Q13315 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GFER P55789 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46

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 1.00 HPGD (0.53) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL8508142 1.00 HPGD (0.53) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL7281140 0.91 DPP4 (0.51) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL14662667 0.88 HPGD (0.51) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL6648103 0.85 DPP4 (0.52) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL6464563 0.85 HPGD (0.50) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL6646350 0.85 DPP4 (0.52) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL3240700 0.84 HPGD (0.60) HPGDSMN1; SMN2KMT2ADPP4ALDH1A1
SCHEMBL6459875 0.83 POLB (0.48) HPGDPOLBSMN1; SMN2KMT2ATP53
SCHEMBL16430283 0.82 KMT2A (0.49) POLBSMN1; SMN2KMT2AMEN1BRD4

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
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO disclosed