SCHEMBL3648468

SCHEMBL3648468

CCOC(=O)C(=CN(CO)C1CC1)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.30
ADRB2 P07550 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3648464 1.00 NPSR1 (0.34) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL3646859 0.97 NPSR1 (0.34) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL3646858 0.97 NPSR1 (0.34) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL3646508 0.88 ADRB2 (0.34) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL3646505 0.88 ADRB2 (0.34) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL3648770 0.84 MEN1 (0.32) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL8471702 0.82 ALDH1A1 (0.36) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL8471703 0.82 ALDH1A1 (0.36) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL10551891 0.81 KMT2A (0.37) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL4567521 0.81 MEN1 (0.40) NPSR1MEN1KMT2ALMNACYP1A2

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-2203459-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2010-07-07 EP disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed