SCHEMBL13625591

SCHEMBL13625591

NCCc1cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)c2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.51
KCNH2 Q12809 10/20 0.51
CYP3A4 P08684 6/20 0.46
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
RPLP1 P05386 1/20 0.34
RPLP0 P05388 1/20 0.34
RPS17 P08708 1/20 0.34
RPSA P08865 1/20 0.34
RPS2 P15880 1/20 0.34
RPL35A P18077 1/20 0.34
RPL7 P18124 1/20 0.34
RPL17 P18621 1/20 0.34
RPS4Y1 P22090 1/20 0.34
RPS3 P23396 1/20 0.34
RPS12 P25398 1/20 0.34
RPL13 P26373 1/20 0.34
RPL10 P27635 1/20 0.34
RPL12 P30050 1/20 0.34
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 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
SCHEMBL13625587 0.88 REN (0.65) RENKCNH2CYP3A4
SCHEMBL13625584 0.84 REN (0.56) RENKCNH2CYP3A4SLC6A2SLC6A4
SCHEMBL13625505 0.75 REN (0.59) RENKCNH2CYP3A4
SCHEMBL13625586 0.74 REN (0.62) RENKCNH2CYP3A4
SCHEMBL13625495 0.74 SLC6A2 (0.60) RENKCNH2CYP3A4SLC6A2SLC6A4
SCHEMBL13625497 0.74 REN (0.48) RENKCNH2CYP3A4SLC6A2SLC6A4
SCHEMBL13625590 0.72 REN (0.45) RENKCNH2CYP3A4SLC6A2SLC6A4
SCHEMBL4315557 0.72 REN (0.45) RENKCNH2CYP3A4SLC6A2SLC6A4
SCHEMBL13625506 0.71 REN (0.56) RENKCNH2CYP3A4SLC6A2SLC6A4
SCHEMBL6880357 0.69 REN (0.82) RENKCNH2CYP3A4

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-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed