SCHEMBL4748944

SCHEMBL4748944

Cc1cccc(-c2c(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc(OCCN)c2F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.41
KAT5 Q92993 2/20 0.41
KAT7 O95251 2/20 0.39
REN P00797 2/20 0.37
EPHA2 P29317 4/20 0.37
KAT8 Q9H7Z6 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
ERBB2 P04626 1/20 0.35
EPHB4 P54760 1/20 0.35
BUB1 O43683 1/20 0.34
SCN9A Q15858 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL4746196 0.88 REN (0.36) REN
SCHEMBL4748799 0.79 MTNR1A (0.35) REN
SCHEMBL4746988 0.78 ALDH1A1 (0.34) REN
SCHEMBL3557758 0.74 REN (0.43) KAT6AKAT5KAT7RENGPR119
SCHEMBL3557762 0.74 REN (0.43) KAT6AKAT5KAT7RENGPR119
SCHEMBL3557756 0.74 REN (0.43) KAT6AKAT5KAT7RENGPR119
SCHEMBL3877929 0.73 REN (0.40) KAT6AKAT5KAT7RENEPHA2
SCHEMBL3943237 0.71 GPR119 (0.41) KAT6AKAT5KAT7RENKAT8
SCHEMBL3943233 0.71 GPR119 (0.41) KAT6AKAT5KAT7RENKAT8
SCHEMBL3881718 0.71 REN (0.48) KAT6AKAT5KAT7RENEPHA2

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