SCHEMBL499177

SCHEMBL499177

CN[C@H](CNC(=O)N(C)CCC(OCCN(C)C(=O)O)c1cc(Cl)ccc1C)C[C@H]1CCCOC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.32
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 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
SCHEMBL3332246 0.93 REN (0.47) RENCYP3A4HPGDF11KLKB1
SCHEMBL8083205 0.90 REN (0.54) RENCYP3A4HPGD
SCHEMBL498963 0.90 REN (0.44) RENCYP3A4
SCHEMBL498863 0.90 REN (0.44) RENCYP3A4
SCHEMBL498864 0.90 REN (0.44) RENCYP3A4
SCHEMBL499595 0.88 REN (0.54) RENCYP3A4
SCHEMBL499157 0.86 REN (0.52) RENCYP3A4
SCHEMBL3336471 0.84 REN (0.48) RENCYP3A4
SCHEMBL3336109 0.84 REN (0.48) RENCYP3A4
SCHEMBL3335146 0.84 REN (0.48) RENCYP3A4

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
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed