SCHEMBL13086223

SCHEMBL13086223

CN1C[C@H](OCc2ccccc2)C[C@H]1CN

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.53
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DPP4 P27487 1/20 0.43
NAAA Q02083 5/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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 0.85 CTSL (0.47) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL26411361 0.84 CTSL (0.46) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL14627065 0.80 CTSL (0.50) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL16092961 0.80 CTSL (0.50) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL25758911 0.79 CTSL (0.47) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL13086195 0.79 BDKRB2 (0.41) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL14256118 0.78 CTSL (0.54) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL20342075 0.77 CTSL (0.47) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL26999951 0.76 BDKRB2 (0.43) BDKRB2CTSLCTSBCTSKCARM1
SCHEMBL23942920 0.75 AGTR2 (0.53) BDKRB2CTSLCTSBCTSKCARM1

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