SCHEMBL2321072

SCHEMBL2321072

N#Cc1ccccc1N1CCN([C]=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.49
DRD2 P14416 4/20 0.49
GRM5 P41594 1/20 0.49
DRD3 P35462 3/20 0.48
HTR1A P08908 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
ADRA1D P25100 1/20 0.45
AR P10275 1/20 0.44
TACR3 P29371 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 1/20 0.42
PHGDH O43175 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL3088832 0.87 DRD4 (0.54) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL23277098 0.81 KDM4E (0.58) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL2323797 0.79 ADRB1 (0.55) DRD4DRD2DRD3HTR1AADRA1A
SCHEMBL829177 0.79 AR (0.65) DRD4DRD2GRM5HTR1AADRA1A
SCHEMBL30406641 0.79 AR (0.59) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL2321076 0.79 DRD4 (0.49) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL21572676 0.78 DRD4 (0.48) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL20156847 0.78 DRD4 (0.51) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL2077260 0.78 GRM5 (0.51) DRD4DRD2GRM5DRD3HTR1A
SCHEMBL2077261 0.78 ADRA2C (0.56) DRD4DRD2GRM5DRD3HTR1A

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed