SCHEMBL8225317

SCHEMBL8225317

O=C(O)[C@H](CC1CCCCC1)NCl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.57
SORT1 Q99523 2/20 0.57
LTA4H P09960 1/20 0.45
CPB2 Q96IY4 9/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL24446611 0.94 GRN (0.51) GRNSORT1LTA4HCPB2MME
SCHEMBL8337764 0.83 GRN (0.46) GRNSORT1CPB2CTSLCTSB
SCHEMBL19371886 0.82 GRN (0.51) GRNSORT1LTA4HCPB2MME
SCHEMBL421252 0.82 GRN (0.51) GRNSORT1LTA4HCPB2MME
SCHEMBL11796335 0.82 GRN (0.51) GRNSORT1LTA4HCPB2
SCHEMBL11796323 0.82 GRN (0.51) GRNSORT1LTA4HCPB2
SCHEMBL23467369 0.81 GRN (0.50) GRNSORT1LTA4HCPB2MME
SCHEMBL22312427 0.81 GRN (0.50) GRNSORT1LTA4HCPB2MME
SCHEMBL25010861 0.81 GRN (0.50) GRNSORT1LTA4HCPB2MME
SCHEMBL7566961 0.81 GRN (0.50) GRNSORT1LTA4HCPB2CTSL

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
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed