SCHEMBL7618079

SCHEMBL7618079

CNC(=O)CCCCCCc1n[c]c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
MTNR1A P48039 2/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MPO P05164 1/20 0.36
NAMPT P43490 1/20 0.35
FAAH O00519 2/20 0.34
ALOX5 P09917 1/20 0.33
HRH2 P25021 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7623156 0.84 MEN1 (0.47) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL7622600 0.84 MEN1 (0.47) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL7622667 0.84 MEN1 (0.47) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL7625860 0.83 CNR1 (0.43) MTNR1AFAAH
SCHEMBL7625592 0.81 TBXAS1 (0.45) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL7614088 0.81 TBXAS1 (0.61) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL7621773 0.81 TBXAS1 (0.61) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL7623365 0.80 TSHR (0.42) TBXAS1
SCHEMBL7623524 0.79 TBXAS1 (0.58) TBXAS1HDAC1HDAC2HDAC8HDAC3
SCHEMBL4873532 0.77 TSHR (0.42) TBXAS1

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed