SCHEMBL22384160

SCHEMBL22384160

CCCCCCCOc1ccc(C2(O)CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
NR5A1 Q13285 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
PLA2G4B P0C869 1/20 0.46
LTA4H P09960 2/20 0.45

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
SCHEMBL6538654 1.00 DRD2 (0.53) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL8396301 0.88 DRD2 (0.44) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL11523502 0.83 DRD2 (0.54) DRD2MEN1KMT2ATSHRLMNA
SCHEMBL22384186 0.82 MEN1 (0.57) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL16566163 0.82 HRH3 (0.64) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL9797733 0.79 RARB (0.49) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL9798799 0.79 RARB (0.49) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL9797668 0.79 RARB (0.49) DRD2DRD4DRD3NR5A1MEN1
SCHEMBL8395822 0.78 TSHR (0.43) DRD2MEN1KMT2ATSHRHRH3
SCHEMBL9798260 0.78 S1PR5 (0.59) MEN1KMT2ATP53TSHRPLA2G4B

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed