SCHEMBL4748799

SCHEMBL4748799

CC(=O)NCCOc1ccc(CC2CN(C(=O)O)CCO2)c(-c2cccc(C)c2)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
REN P00797 3/20 0.34
SYK P43405 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CD274 Q9NZQ7 3/20 0.32
GRIN2B Q13224 3/20 0.32
MTNR1B P49286 1/20 0.32
DRD2 P14416 1/20 0.32
PDCD1 Q15116 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL4746988 0.84 ALDH1A1 (0.34) RENKDM4EHPGDNPC1RAB9A
SCHEMBL4748944 0.79 KAT6A (0.41) REN
SCHEMBL4746196 0.78 REN (0.36) RENKDM4EHPGDNPC1GLA
SCHEMBL2850288 0.73 REN (0.49) RENNPC1RAB9AGRIN2B
SCHEMBL2850285 0.73 REN (0.49) RENNPC1RAB9AGRIN2B
SCHEMBL5592088 0.67 REN (0.41) RENNPC1RAB9AGRIN2B
SCHEMBL3880169 0.66 REN (0.66) REN
SCHEMBL5592196 0.66 REN (0.66) REN
SCHEMBL14403783 0.65 REN (0.49) RENCD274GRIN2B
SCHEMBL3564789 0.64 REN (0.47) REN

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