SCHEMBL4746368

SCHEMBL4746368

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
GRM5 P41594 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
LMNA P02545 1/20 0.32
GRIN2B Q13224 3/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CTSA P10619 1/20 0.31
CHRM3 P20309 2/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL4746364 1.00 REN (0.44) RENGRM5NPC1RAB9ATP53
SCHEMBL2849337 0.93 REN (0.46) RENGRM5NPC1RAB9ATP53
SCHEMBL2849335 0.93 REN (0.46) RENGRM5NPC1RAB9ATP53
SCHEMBL5610964 0.91 REN (0.46) RENGRM5NPC1RAB9ACTSA
SCHEMBL5610962 0.91 REN (0.46) RENGRM5NPC1RAB9ACTSA
SCHEMBL2850288 0.90 REN (0.49) RENGRM5NPC1RAB9ATP53
SCHEMBL5592225 0.90 REN (0.42) RENGRM5NPC1RAB9ATP53
SCHEMBL3568209 0.90 REN (0.42) RENMAPTSMN1; SMN2
SCHEMBL5592227 0.90 REN (0.42) RENGRM5NPC1RAB9ATP53
SCHEMBL3568210 0.90 REN (0.42) RENMAPTSMN1; SMN2

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
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed