SCHEMBL6636732

SCHEMBL6636732

CCC(C(=O)NC[C@@H](O)C(Cc1ccccc1)NC(C)CC(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4A O75164 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.45
BCHE P06276 3/20 0.42
BACE1 P56817 3/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
REN P00797 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL3489230 0.83 BCHE (0.49) POLBBCHEBACE1
SCHEMBL3489233 0.83 BCHE (0.49) POLBBCHEBACE1
SCHEMBL6634730 0.74 BCHE (0.46) POLBKDM4AMEN1KMT2AGAA
SCHEMBL3491799 0.73 BCHE (0.53) POLBBCHEBACE1
SCHEMBL3491797 0.73 BCHE (0.53) POLBBCHEBACE1
SCHEMBL3491060 0.72 BCHE (0.54) BCHEBACE1
SCHEMBL3491064 0.72 BCHE (0.54) BCHEBACE1
SCHEMBL6635257 0.71 OPRM1 (0.51) POLBBCHEBACE1
SCHEMBL4389332 0.71 ALDH1A1 (0.43) POLBKDM4AMEN1KMT2AGAA
SCHEMBL583003 0.70 KMT2A (0.83) POLBKDM4AMEN1KMT2AGAA

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-1409450-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-04-21 EP claimed
WO-2003006423-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO claimed