SCHEMBL2445203

SCHEMBL2445203

CNC(=O)C(OC)(OC)c1ccc(N2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.49
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 7/20 0.46
RAB9A P51151 5/20 0.46
MCL1 Q07820 2/20 0.46
NR4A1 P22736 1/20 0.46
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
GFER P55789 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL27903899 0.99 MAPT (0.48) MAPTHDAC6ALDH1A1KMT2ARAB9A
SCHEMBL2387706 0.89 MAPT (0.49) MAPTHDAC6ALDH1A1KMT2ARAB9A
SCHEMBL27903917 0.79 TRPV1 (0.46) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL27903900 0.73 KMT2A (0.55) MAPTALDH1A1KMT2ARAB9AKDM4E
SCHEMBL26398689 0.73 HDAC6 (0.71) MAPTHDAC6ALDH1A1KMT2ARAB9A
SCHEMBL27887007 0.71 MAPT (0.49) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL11830100 0.70 MAPT (0.49) MAPTHDAC6ALDH1A1KMT2ARAB9A
SCHEMBL2951325 0.69 ALDH1A1 (0.71) MAPTHDAC6ALDH1A1KMT2ARAB9A
SCHEMBL2172085 0.69 MAPT (0.50) MAPTHDAC6ALDH1A1KMT2ARAB9A
SCHEMBL5742108 0.68 ALDH1A1 (0.69) MAPTHDAC6ALDH1A1KMT2ARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869355-B Pde10 inhibitors and related compositions and methods OMEROS CORP 2015-07-08 CN disclosed
CN-104710385-A PDE10 inhibitors and related compositions and methods OMEROS CORP 2015-06-17 CN disclosed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
CN-102869355-A Pde10 inhibitors and related compositions and methods OMEROS CORP 2013-01-09 CN disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed