SCHEMBL6574730

SCHEMBL6574730

COC(=O)NN1CCC(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
OGA O60502 1/20 0.50
HTT P42858 1/20 0.50
HSD11B1 P28845 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
DRD2 P14416 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL15492542 0.85 SLC18A3 (0.51) SLC18A3SMN1; SMN2HSD11B1KCNH2HRH3
SCHEMBL27640069 0.82 CA12 (0.49) SLC18A3SMN1; SMN2HSD11B1KCNH2HRH3
SCHEMBL10305548 0.81 KCNH2 (0.52) SLC18A3KCNH2HRH3DRD2PRCP
SCHEMBL6574220 0.81 SLC18A3 (0.51) SLC18A3ALDH1A1SIGMAR1TP53MEN1
SCHEMBL31073550 0.79 KCNH2 (0.56) SLC18A3SMN1; SMN2HSD11B1ALDH1A1L3MBTL1
SCHEMBL7066218 0.78 SIGMAR1 (0.47) SLC18A3SMN1; SMN2HSD11B1ALDH1A1KCNH2
SCHEMBL27582497 0.77 KCNH2 (0.45) SLC18A3SMN1; SMN2HSD11B1KCNH2HRH3
SCHEMBL420261 0.77 SLC18A3 (0.43) SLC18A3SMN1; SMN2HSD11B1KCNH2HRH3
SCHEMBL3192791 0.76 RAB9A (0.51) SLC18A3SMN1; SMN2HTTALDH1A1KCNH2
SCHEMBL12918533 0.75 CARM1 (0.57) SLC18A3SMN1; SMN2ALDH1A1SIGMAR1MEN1

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-1409457-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE Sanofi-Aventis (FR) 2004-04-21 EP disclosed
WO-2003008381-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE SANOFI-SYNTHELABO (FR) 2003-01-30 WO disclosed