SCHEMBL3662863

SCHEMBL3662863

COc1ccc(CCNC(=O)C2(NC(=O)OC(C)(C)C)CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
TAAR1 Q96RJ0 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
CTSK P43235 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL10709727 0.82 POLB (0.49) KMT2ACTSK
SCHEMBL8757522 0.81 GLA (0.67) SMN1; SMN2KMT2AGLAALDH1A1LMNA
SCHEMBL1403874 0.80 CTSB (0.50) KMT2AFAAHTRPV1CTSK
SCHEMBL3919908 0.76 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL2777683 0.76 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AALDH1A1LMNANPSR1
SCHEMBL2051405 0.75 CTSL (0.35) KMT2AFAAHGAAMEN1
SCHEMBL8019170 0.75 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AGLAALDH1A1LMNA
SCHEMBL31697584 0.75 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AGLAALDH1A1LMNA
SCHEMBL32687673 0.74 ANPEP (0.43) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL21218528 0.74 GHSR (0.35) KMT2AALDH1A1FAAHTRPV1GAA

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-2234983-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth LLC (US) 2010-10-06 EP disclosed
WO-2009079630-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed