SCHEMBL8290230

SCHEMBL8290230

NCC1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 3/20 0.62
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
ACHE P22303 1/20 0.55
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL10721826 0.83 MEN1 (1.00) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL14578661 0.82 ALDH1A1 (0.78) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL29516320 0.80 MEN1 (0.86) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL16002928 0.79 MEN1 (0.68) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL10064244 0.79 MEN1 (0.83) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL5353584 0.78 GRIN2B (0.68) KMT2AMEN1ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL19691813 0.78 SMN1; SMN2 (0.58) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL16000506 0.77 MEN1 (0.64) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL652552 0.76 MEN1 (0.78) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL6390973 0.76 MEN1 (0.84) KMT2AMEN1ALDH1A1LMNAPOLB

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-2343069-A1 Heterocyclic aspartyl protease inhibitors Schering Corporation (US) 2011-07-13 EP disclosed
WO-2005058311-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2005-06-30 WO disclosed