SCHEMBL7625860

SCHEMBL7625860

CCCNC(=O)CCCCCCCc1n[c]c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
MTNR1A P48039 1/20 0.42
FAAH O00519 3/20 0.41
TRPV1 Q8NER1 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
DNM1 Q05193 1/20 0.39

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
SCHEMBL7618079 0.83 TBXAS1 (0.41) MTNR1AFAAH
SCHEMBL13260587 0.80 TRPV1 (0.44) CNR1MTNR1AFAAHTRPV1MEN1
SCHEMBL7623156 0.80 MEN1 (0.47) FAAHMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7622667 0.80 MEN1 (0.47) FAAHMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7622600 0.80 MEN1 (0.47) FAAHMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11470650 0.77 ALDH1A1 (0.42) ALDH1A1HPGD
SCHEMBL7614088 0.76 TBXAS1 (0.61) MAPT
SCHEMBL7621773 0.76 TBXAS1 (0.61) MAPT
SCHEMBL7625592 0.76 TBXAS1 (0.45) FAAH
SCHEMBL7623524 0.75 TBXAS1 (0.58) MAPTALDH1A1

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