SCHEMBL6648103

SCHEMBL6648103

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.47
SMAD3 P84022 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 3/20 0.46
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
SCHEMBL6646350 1.00 DPP4 (0.52) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL6453967 0.85 HPGD (0.53) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL6464563 0.85 HPGD (0.50) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL8508142 0.85 HPGD (0.53) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL14661808 0.85 HPGD (0.53) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL20722377 0.84 HPGD (0.60) DPP4KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL21704253 0.84 HPGD (0.60) DPP4KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL6456086 0.83 POLB (0.46) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL14662667 0.82 HPGD (0.51) DPP4MEN1KMT2AHPGDL3MBTL1
SCHEMBL3867596 0.81 POLB (0.49) DPP4MEN1KMT2AHPGDL3MBTL1

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-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO disclosed