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SCHEMBL5593510

SCHEMBL5593510

COCCCCC(c1cccc(Cl)c1-c1cccc(C)c1)C1CNCCO1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 12/20 0.41
▸ SLC6A4 P31645 12/20 0.41
▸ REN P00797 5/20 0.40
▸ SLC6A3 Q01959 8/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ HRH1 P35367 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
SCHEMBL5593483 0.92 SLC6A2 (0.41) SLC6A2SLC6A4RENSLC6A3KCNH2
SCHEMBL5593489 0.90 SLC6A2 (0.40) SLC6A2SLC6A4RENSLC6A3KCNH2
SCHEMBL12991314 0.89 REN (0.40) SLC6A2SLC6A4RENSLC6A3KAT6A
SCHEMBL3563410 0.89 REN (0.40) SLC6A2SLC6A4RENSLC6A3KAT6A
SCHEMBL3891686 0.86 SLC6A2 (0.37) SLC6A2SLC6A4RENSLC6A3KCNH2
SCHEMBL5593356 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL4788823 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL5593486 0.76 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL3891648 0.75 SLC6A2 (0.43) SLC6A2SLC6A4RENSLC6A3KCNH2
SCHEMBL3891653 0.75 SLC6A2 (0.43) SLC6A2SLC6A4RENSLC6A3KCNH2

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