SCHEMBL8294883

SCHEMBL8294883

Cc1cc2ncc(C(=O)NCCCC[C@H](N)C(=O)N3CC(F)C3)nc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 2/20 0.36
HTR1A P08908 7/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
DPP4 P27487 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL8293669 0.91 HDAC3 (0.38) DPP7DPP8DPP9HTR1AHDAC3
Hydrochloric Acid SCHEMBL6532933 0.91 HDAC3 (0.37) DPP7DPP8DPP9HTR1AHDAC3
Hydrochloric Acid SCHEMBL6532924 0.91 HDAC3 (0.37) DPP7DPP8DPP9HTR1AHDAC3
SCHEMBL8293218 0.91 DRD2 (0.39) DPP7DPP8DPP9HTR1AHDAC3
SCHEMBL8294907 0.88 HDAC3 (0.36) DPP7DPP8DPP9HTR1AHDAC3
SCHEMBL8293650 0.87 HDAC3 (0.48) HTR1AHDAC3HDAC1DRD2DRD3
Hydrochloric Acid SCHEMBL6805082 0.80 HDAC3 (0.46) HTR1AHDAC3HDAC1DRD2DRD3
SCHEMBL8293671 0.79 HDAC3 (0.39) DPP7DPP8DPP9HTR1AHDAC3
SCHEMBL8294918 0.79 DRD2 (0.39) DPP7DPP8DPP9HTR1AHDAC3
SCHEMBL8293216 0.74 HDAC3 (0.48) HTR1AHDAC3HDAC1DRD2DRD3

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-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed