SCHEMBL4755799

SCHEMBL4755799

COCCCC[C@H](c1cccc(Cl)c1F)[C@H]1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.41
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
KAT7 O95251 1/20 0.35
ACP1 P24666 1/20 0.34
CFD P00746 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
SCHEMBL4754589 1.00 REN (0.41) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5593634 0.89 SLC6A2 (0.41) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5593564 0.89 SLC6A2 (0.34) RENSLC6A2SLC6A4SLC6A3
SCHEMBL5613173 0.88 SLC6A2 (0.36) RENSLC6A2SLC6A4SLC6A3KAT7
SCHEMBL8245173 0.82 REN (0.45) RENSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5593356 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4788823 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5593346 0.80 SLC6A2 (0.40) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5612896 0.79 REN (0.33) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3941676 0.79 REN (0.33) RENSLC6A2SLC6A4SLC6A3

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
WO-2008156832-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed