SCHEMBL3878835

SCHEMBL3878835

CO[C@H](CCCC[C@H]1CN(C(=O)N2C[C@@H](N)[C@@H](O)C2)CCO1)c1cccc(F)c1-c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.44
GRIN2B Q13224 1/20 0.30
GRM5 P41594 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
SCHEMBL3881875 1.00 REN (0.44) RENGRIN2BGRM5
SCHEMBL5592088 0.87 REN (0.41) RENGRIN2BGRM5
SCHEMBL3877929 0.84 REN (0.40) REN
SCHEMBL5616691 0.83 REN (0.39) RENGRIN2B
SCHEMBL4295733 0.81 REN (0.52) RENGRIN2B
SCHEMBL4292326 0.81 REN (0.52) RENGRIN2B
SCHEMBL4295728 0.81 REN (0.52) RENGRIN2B
SCHEMBL4292328 0.81 REN (0.52) RENGRIN2B
SCHEMBL4302202 0.81 REN (0.52) RENGRIN2B
SCHEMBL5592100 0.81 REN (0.35) 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 2 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