SCHEMBL382076

SCHEMBL382076

CC(C)(C)[C@@](CNC(=O)c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.51
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2A P28223 1/20 0.46
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL382573 0.84 ITGB3 (0.43) NPC1GAAKDM4ETSHRTDP1
SCHEMBL382074 0.83 DRD4 (0.51) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL415667 0.80 ITGB3 (0.64) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL7655325 0.79 DRD4 (0.52) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL382073 0.77 DRD4 (0.49) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL415668 0.77 DRD4 (0.54) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL382075 0.76 ITGB3 (0.50) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL460325 0.75 ITGB3 (0.43) TDP1GLAMAPTATM
SCHEMBL383213 0.75 DRD4 (0.77) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL383161 0.74 ITGB3 (0.47) TDP1DRD2DRD3GLAMAPT

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed