SCHEMBL3518912

SCHEMBL3518912

N#Cc1ccc(Cc2ncc(CCN3CCOCC3)[nH]2)cc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
SRC P12931 10/20 0.42
FYN P06241 1/20 0.40
SCN9A Q15858 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TNIK Q9UKE5 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3515316 0.83 FNTA (0.46) FNTAPGGT1BSRCFYNMAPK1
SCHEMBL8163840 0.80 KCNH2 (0.45) SRC
SCHEMBL3500684 0.79 FNTA (0.54) FNTAFNTBPGGT1BSRCFYN
SCHEMBL3520728 0.72 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL3515318 0.72 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL3520246 0.69 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL7163807 0.69 KCNH2 (0.44)
SCHEMBL6213205 0.69 TSHR (0.66) SRCFYNTSHRALDH1A1NPSR1
SCHEMBL11758094 0.66 FNTA (0.57) FNTAFNTBPGGT1BHPGDCYP2D6
SCHEMBL3500590 0.66 FNTA (0.65) FNTAFNTBPGGT1BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed