SCHEMBL3763313

SCHEMBL3763313

C=CCN(C(=O)O)[C@@H]1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
CPN1 P15169 2/20 0.36
CPB2 Q96IY4 2/20 0.36
CYP2D6 P10635 5/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SLC6A2 P23975 12/20 0.35
SLC6A4 P31645 12/20 0.35
SLC6A3 Q01959 8/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM4 P08173 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM5 P08912 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
SCHEMBL3763318 1.00 SLC6A1 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL23795173 0.84 CCR5 (0.36) SLC6A2SLC6A4
SCHEMBL8773489 0.81 ALDH1A1 (0.39)
SCHEMBL14632098 0.78 SLC6A2 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1468566 0.78 SLC6A2 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL967296 0.78 SLC6A2 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL968086 0.78 SLC6A2 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL16528842 0.77 SLC6A1 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL966683 0.75 SLC6A2 (0.49) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL20820063 0.74 SLC6A4 (0.50) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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
EP-2248803-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYLPIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed