SCHEMBL383200

SCHEMBL383200

CC(C)(C)C(N)(CC(=O)O)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.34
DRD3 P35462 10/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
EPHX2 P34913 1/20 0.33
HDAC1 Q13547 1/20 0.33
ADRA2A P08913 1/20 0.33
MCHR1 Q99705 1/20 0.33
NPY2R P49146 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL383373 0.85 ITGB3 (0.40) HDAC1NPY2RFFAR4
SCHEMBL382800 0.83 ITGB3 (0.36) DRD2DRD3HRH4HRH3NPY2R
SCHEMBL382988 0.82 PRMT5 (0.38) DRD2DRD3
SCHEMBL381766 0.81 DRD2 (0.42) DRD2DRD3HDAC1MCHR1
SCHEMBL381747 0.81 ITGB3 (0.37) DRD2DRD3HDAC1
SCHEMBL381828 0.81 DRD2 (0.43) DRD2DRD3NPY2R
SCHEMBL381826 0.80 DRD2 (0.35) DRD2DRD3EPHX2ADRA2AMCHR1
SCHEMBL382455 0.79 DRD2 (0.42) DRD2DRD3EPHX2
SCHEMBL6496356 0.79 HDAC1 (0.41) DRD2DRD3HDAC1
SCHEMBL383201 0.77 ITGB3 (0.40) DRD2DRD3EPHX2NPY2R

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