SCHEMBL7870348

SCHEMBL7870348

Bc1c(-c2cccc(Cl)c2Cl)noc1[C@H]1CNCC[C@]1(O)c1ccc(C)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.70
CYP3A4 P08684 13/20 0.70
KCNH2 Q12809 18/20 0.60
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 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
SCHEMBL555942 0.82 REN (1.00) RENCYP3A4KCNH2
SCHEMBL557187 0.75 REN (1.00) RENCYP3A4KCNH2
SCHEMBL556908 0.74 REN (1.00) RENCYP3A4KCNH2
SCHEMBL557568 0.74 REN (1.00) RENCYP3A4KCNH2
SCHEMBL556389 0.73 REN (0.80) RENCYP3A4KCNH2
SCHEMBL7871268 0.70 REN (0.88) RENCYP3A4KCNH2
SCHEMBL555629 0.69 REN (1.00) RENCYP3A4KCNH2
SCHEMBL10202591 0.68 REN (1.00) RENCYP3A4KCNH2
SCHEMBL556854 0.68 REN (1.00) RENCYP3A4KCNH2
SCHEMBL555966 0.68 REN (1.00) RENCYP3A4KCNH2

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-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed