SCHEMBL3877929

SCHEMBL3877929

COC(CCCCC1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(F)c1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.40
KAT6A Q92794 2/20 0.38
KAT5 Q92993 2/20 0.38
KAT7 O95251 1/20 0.38
EPHA2 P29317 4/20 0.36
GPR119 Q8TDV5 3/20 0.35
USP30 Q70CQ3 2/20 0.34
P2RX3 P56373 3/20 0.34
P2RX2 Q9UBL9 3/20 0.34
ERBB2 P04626 1/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL5592088 0.90 REN (0.41) REN
SCHEMBL5616691 0.88 REN (0.39) REN
SCHEMBL3878835 0.84 REN (0.44) REN
SCHEMBL3881875 0.84 REN (0.44) REN
SCHEMBL4217493 0.84 REN (0.38) RENKAT6AKAT5KAT7GPR119
SCHEMBL3881718 0.83 REN (0.48) RENKAT6AKAT5KAT7EPHA2
SCHEMBL5592100 0.81 REN (0.35) REN
SCHEMBL12991819 0.80 REN (0.47) RENKAT6AKAT5KAT7GPR119
SCHEMBL3569485 0.80 REN (0.47) RENKAT6AKAT5KAT7GPR119
SCHEMBL3569483 0.80 REN (0.47) RENKAT6AKAT5KAT7GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed