SCHEMBL28744444

SCHEMBL28744444

N[C@@H](Cc1cnc[nH]1)C(=O)n1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
SLC7A5 Q01650 1/20 0.60
NLN Q9BYT8 4/20 0.51
DPP4 P27487 1/20 0.51
HRH4 Q9H3N8 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
LMNA P02545 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL27529938 0.79 CYP3A4 (0.55) CYP3A4SLC7A5NLNDPP4HRH4
SCHEMBL18878769 0.79 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5717709 0.79 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5497653 0.79 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27719660 0.77 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL10008551 0.76 CYP3A4 (0.93) CYP3A4SLC7A5NLNHRH4HRH3
Histidine SCHEMBL16986405 0.76 CYP3A4 (0.93) CYP3A4SLC7A5NLNHRH4HRH3
Histidine SCHEMBL19974306 0.76 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL3260 0.76 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL388560 0.76 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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
CN-1510049-A Polypeptide-human DBH and PAM20, polynucleotide for encoding said polypeptide 上海博德基因开发有限公司 2004-07-07 CN disclosed
CN-1300736-A Polypeptide-DBH and PAM 20 and polynucleotide for coding this polypeptide UNIV FUDAN (CN) 2001-06-27 CN disclosed