SCHEMBL7652098

SCHEMBL7652098

CCN(CC)c1ccc(NC(=O)C(c2ccncc2)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
GAA P10253 3/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KLK7 P49862 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1594108 0.88 SMN1; SMN2 (0.56) MAPTHTTALDH1A1KDM4EMEN1
SCHEMBL7654953 0.81 MAPT (0.50) MAPTGAAHTTALDH1A1MAPK1
SCHEMBL7651646 0.80 HTT (0.67) MAPTGAAHTTALDH1A1MAPK1
SCHEMBL1594444 0.72 ALDH1A1 (0.55) MAPTGAAALDH1A1KDM4ETHRB
SCHEMBL3069128 0.72 RAB9A (0.71) MAPTGAAHTTALDH1A1MAPK1
SCHEMBL1817848 0.71 MEN1 (0.58) MAPTGAAHTTMEN1KMT2A
SCHEMBL1593930 0.71 ALDH1A1 (0.67) MAPTHTTALDH1A1MAPK1MEN1
SCHEMBL7651061 0.70 RAB9A (0.60) MAPTGAAHTTALDH1A1MAPK1
SCHEMBL2847290 0.69 HDAC4 (0.68) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL1593906 0.69 KCNQ3 (0.50) MAPTHTTALDH1A1MAPK1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed
EP-1033366-A2 Amide derivatives useful as Neuropeptide Y (NPY) antagonists Pfizer Products Inc. (US) 2000-09-06 EP disclosed