SCHEMBL4742544

SCHEMBL4742544

CN1CCC(N2CCN(CC3CO3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
HRH3 Q9Y5N1 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR7 P34969 1/20 0.33
PIM1 P11309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
NCF1 P14598 1/20 0.31
TP53 P04637 1/20 0.31
HBB P68871 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAD52 P43351 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3360174 0.82 HRH3 (0.42) HRH3SMN1; SMN2HRH4ACHEHTR2A
SCHEMBL24204800 0.79 NCF1 (0.43) L3MBTL1L3MBTL3ACHEALDH1A1NCF1
SCHEMBL12772840 0.79 NCF1 (0.39) L3MBTL1L3MBTL3ACHEALDH1A1NCF1
SCHEMBL24204675 0.78 NCF1 (0.42) L3MBTL1L3MBTL3ACHEALDH1A1NCF1
SCHEMBL26042815 0.77 L3MBTL1 (0.40) L3MBTL1L3MBTL3HRH3ACHEALDH1A1
SCHEMBL24204398 0.76 NCF1 (0.41) L3MBTL1L3MBTL3ACHEALDH1A1NCF1
SCHEMBL24352364 0.76 CHRM5 (0.45) L3MBTL1L3MBTL3ACHEALDH1A1NCF1
SCHEMBL24319406 0.76 ALDH1A1 (0.37) L3MBTL1L3MBTL3ACHEALDH1A1NCF1
SCHEMBL354055 0.76 TP53 (0.48) SMN1; SMN2GAAALDH1A1TP53HBB
SCHEMBL3211746 0.76

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-1409479-B1 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS LILLY CO ELI (US) 2008-01-23 EP disclosed
EP-1409479-A2 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed