SCHEMBL3414839

SCHEMBL3414839

CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)C2CN(C(=O)O)CCC2=O)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.42
KCNH2 Q12809 3/20 0.36
NPC1 O15118 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
CCR1 P32246 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ENPP2 Q13822 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3103641 0.88 REN (0.41) RENKCNH2USP30TACR1
SCHEMBL1071703 0.85 REN (0.48) RENKCNH2CYP3A4
SCHEMBL3417760 0.84 REN (0.51) RENKCNH2CYP3A4
SCHEMBL3102998 0.76 REN (0.55) RENKCNH2CYP3A4
SCHEMBL1229339 0.75 REN (0.46) RENKCNH2CYP3A4
SCHEMBL3108333 0.74 REN (0.48) RENKCNH2CYP3A4
SCHEMBL3111265 0.68 REN (0.52) RENKCNH2CYP3A4
SCHEMBL1228594 0.67 REN (0.54) RENKCNH2CYP3A4
SCHEMBL662753 0.66 ALDH1A1 (0.49) RENALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL660562 0.66 POLB (0.44) RENCCR1ALDH1A1SMN1; SMN2POLB

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
EP-2229363-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed