SCHEMBL13086195

SCHEMBL13086195

CN1C[C@H](OCc2ccccc2)C[C@H]1CNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.41
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
ABCB1 P08183 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
BACE1 P56817 2/20 0.35
NAAA Q02083 2/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
MMP9 P14780 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL23053890 0.79 CTSL (0.47) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL13086223 0.79 BDKRB2 (0.53) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL13086221 0.77 BACE1 (0.41) BDKRB2CARM1PRMT6ABCB1TMEM97
SCHEMBL26411361 0.76 CTSL (0.46) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL14627065 0.72 CTSL (0.50) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL16092961 0.72 CTSL (0.50) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL26999951 0.71 BDKRB2 (0.43) BDKRB2CARM1PRMT6ABCB1TMEM97
SCHEMBL23942920 0.70 AGTR2 (0.53) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL26207194 0.70 AGTR2 (0.53) BDKRB2CARM1PRMT6TMEM97SIGMAR1
SCHEMBL24251891 0.70 MMP9 (0.45) BDKRB2CARM1PRMT6TMEM97SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed