SCHEMBL5592227

SCHEMBL5592227

Cc1cccc(-c2c(F)cccc2C(OCCOS(C)(=O)=O)C2CN(C(=O)O)CCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.42
GRM5 P41594 3/20 0.33
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL5592225 1.00 REN (0.42) RENGRM5TP53NPC1RAB9A
SCHEMBL3570951 0.90 REN (0.40) REN
SCHEMBL3570954 0.90 REN (0.40) REN
SCHEMBL3570948 0.90 REN (0.40) REN
SCHEMBL4746368 0.90 REN (0.44) RENGRM5TP53NPC1RAB9A
SCHEMBL2849337 0.90 REN (0.46) RENGRM5TP53NPC1RAB9A
SCHEMBL2849335 0.90 REN (0.46) RENGRM5TP53NPC1RAB9A
SCHEMBL4746364 0.90 REN (0.44) RENGRM5TP53NPC1RAB9A
SCHEMBL5610962 0.87 REN (0.46) RENGRM5NPC1RAB9A
SCHEMBL5610964 0.87 REN (0.46) RENGRM5NPC1RAB9A

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-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed