SCHEMBL4772549

SCHEMBL4772549

O=C(O)C1CCCC12CCCNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
TSHR P16473 2/20 0.41
SLC6A11 P48066 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL1033600 0.93 TSHR (0.37) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL4340491 0.85 TSHR (0.38) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL29464322 0.83 SLC6A1 (0.38) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL16824868 0.82 TSHR (0.41) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3712658 0.81 TSHR (0.40) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL25601715 0.78 SLC1A2 (0.35) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL31332648 0.78 SLC1A2 (0.35) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL6221971 0.78 SLC1A2 (0.35) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL6631755 0.76 KDM4E (0.35) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL8150326 0.76 MAPK1 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 EP disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed