SCHEMBL1082103

SCHEMBL1082103

COCCOc1ccc(Cl)c(C=O)c1.COCCOc1ccc(Cl)c(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC5A2 P31639 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
P4HB P07237 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
GAA P10253 1/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
REN P00797 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
ERN1 O75460 1/20 0.34
SLC5A1 P13866 1/20 0.34
ORAI1 Q96D31 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
SCHEMBL662439 0.89 KDM4E (0.46) L3MBTL1KDM4ETDP1ALDH1A1FFAR4
SCHEMBL661988 0.88 L3MBTL1 (0.47) L3MBTL1KDM4ETDP1ALDH1A1SLC5A2
SCHEMBL8262745 0.81 L3MBTL1 (0.49) L3MBTL1KDM4ETDP1ALDH1A1SLC5A2
SCHEMBL13490743 0.77 L3MBTL1 (0.63) L3MBTL1KDM4ETDP1ALDH1A1SLC5A2
SCHEMBL27854474 0.76 L3MBTL1 (0.44) L3MBTL1KDM4ETDP1ALDH1A1SLC5A2
SCHEMBL13490831 0.73 KDM4E (0.47) L3MBTL1KDM4ETDP1ALDH1A1SLC5A2
SCHEMBL8264213 0.73 KDM4E (0.47) L3MBTL1KDM4ETDP1ALDH1A1SLC5A2
SCHEMBL3209341 0.72 ALDH1A1 (0.41) ALDH1A1TUBB1ERN1
SCHEMBL8421788 0.72 ERN1 (0.65) TUBB1ERN1
SCHEMBL533873 0.71 SLC6A4 (0.41) KDM4ETDP1

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-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 EP disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed