SCHEMBL7370041

SCHEMBL7370041

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CNN(CC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.53
KLK5 Q9Y337 3/20 0.51
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45
PGC P20142 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
SCHEMBL7371915 1.00 REN (0.53) RENKLK5CTSDCTSEPGC
SCHEMBL8712611 0.85 REN (0.53) RENKLK5CTSDCTSEPGC
SCHEMBL8712609 0.85 REN (0.53) RENKLK5CTSDCTSEPGC
SCHEMBL7374902 0.85 REN (0.43) RENKLK5
SCHEMBL7371572 0.85 REN (0.43) RENKLK5
SCHEMBL30318981 0.84 REN (0.58) RENKLK5
SCHEMBL5220702 0.84 REN (0.58) RENKLK5
SCHEMBL7408240 0.81 CTSD (0.61) RENKLK5CTSDCTSEPGC
SCHEMBL6449191 0.81 CTSD (0.61) RENKLK5CTSDCTSEPGC
SCHEMBL6449190 0.81 CTSD (0.61) RENKLK5CTSDCTSEPGC

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-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed