SCHEMBL3620191

SCHEMBL3620191

O=C1NCCCN1[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.46
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
CDA P32320 2/20 0.39
TSHR P16473 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL402931 1.00 NPY5R (0.46) NPY5RPOLBGAAKMT2ADUSP3
SCHEMBL3627847 1.00 NPY5R (0.46) NPY5RPOLBGAAKMT2ADUSP3
SCHEMBL2133262 0.90 NPY5R (0.44) NPY5RPOLBGAAKMT2ADUSP3
SCHEMBL380247 0.90 NPY5R (0.44) NPY5RPOLBGAAKMT2ADUSP3
SCHEMBL5827421 0.86 CDA (0.44) NPY5RCDAF10F2F9
SCHEMBL9057675 0.80 F10 (0.45) NPY5RKMT2ACDAF10F2
SCHEMBL17138754 0.80 CDA (0.42) NPY5RGAAKMT2AMEN1CDA
SCHEMBL19271812 0.80 CDA (0.42) NPY5RCDAF10F2F9
SCHEMBL11215508 0.78 CDA (0.44) NPY5RPOLBGAACDAF10
SCHEMBL403484 0.78 ALDH1A1 (0.48) NPY5RPOLBKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP claimed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO claimed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed