SCHEMBL3370373

SCHEMBL3370373

O=C(O)ON1CCCC1c1nnc(-c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.51
HCRTR1 O43613 5/20 0.50
HCRTR2 O43614 5/20 0.50
HSD11B1 P28845 1/20 0.46
DPP4 P27487 1/20 0.45
HDAC3 O15379 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3366782 0.98 USP30 (0.52) USP30HCRTR1HCRTR2HSD11B1DPP4
SCHEMBL3368239 0.89 ALDH1A1 (0.56) USP30HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368153 0.86 HCRTR1 (0.58) USP30HCRTR1HCRTR2POLBNPC1
SCHEMBL3369474 0.85 HCRTR1 (0.47) USP30HCRTR1HCRTR2DPP4NPC1
SCHEMBL3370370 0.81 HCRTR1 (0.60) USP30HCRTR1HCRTR2HSD11B1DPP4
SCHEMBL3369475 0.79 HCRTR1 (0.61) USP30HCRTR1HCRTR2HSD11B1DPP4
SCHEMBL3366778 0.79 HCRTR1 (0.58) USP30HCRTR1HCRTR2HSD11B1DPP4
SCHEMBL3366768 0.78 HCRTR1 (0.57) USP30HCRTR1HCRTR2HSD11B1DPP4
SCHEMBL4955786 0.77 ALDH1A1 (0.60) HCRTR1HCRTR2POLBTSHRMAPT
SCHEMBL4955775 0.77 ALDH1A1 (0.60) HCRTR1HCRTR2POLBTSHRMAPT

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-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 EP disclosed