SCHEMBL5628458

SCHEMBL5628458

CC(C)CCNc1ncnc2nc[nH]c12.CNc1ncnc2nc[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.63
CYP3A4 P08684 2/20 0.59
LMNA P02545 6/20 0.59
MAPK1 P28482 3/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CYP1A2 P05177 4/20 0.52
CDK2 P24941 2/20 0.51
TSHR P16473 4/20 0.51
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PRMT1 Q99873 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL150047 0.94 HTT (0.70) HTTCYP3A4LMNAMAPK1TAAR1
SCHEMBL29612168 0.94 HTT (0.70) HTTCYP3A4LMNAMAPK1TAAR1
SCHEMBL21914 0.82 HTT (0.62) HTTCYP3A4LMNAMAPK1CYP1A2
SCHEMBL29380490 0.82 HTT (0.62) HTTCYP3A4LMNAMAPK1CYP1A2
SCHEMBL6141606 0.81 CYP3A4 (0.68) HTTCYP3A4LMNAMAPK1TAAR1
SCHEMBL29524840 0.81 CYP3A4 (0.68) HTTCYP3A4LMNAMAPK1TAAR1
SCHEMBL6243538 0.81 HTT (0.60) HTTCYP3A4LMNAMAPK1CYP1A2
SCHEMBL10918760 0.81 HTT (0.60) HTTCYP3A4LMNAMAPK1CYP1A2
SCHEMBL16145699 0.80 HTT (0.65) HTTCYP3A4LMNAMAPK1TAAR1
SCHEMBL10344772 0.79 HTT (0.60) HTTCYP3A4LMNAMAPK1TAAR1

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-1791567-A2 CHEMICALLY MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals Inc. (US) 2007-06-06 EP disclosed
WO-2006020768-A2 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-23 WO disclosed