SCHEMBL3516586

SCHEMBL3516586

N#Cc1ccc(Cc2ncc[nH]2)cc1Oc1cccc2c1-c1ccccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.41
FNTA P49354 11/20 0.39
FNTB P49356 11/20 0.39
PGGT1B P53609 11/20 0.39
TAAR1 Q96RJ0 2/20 0.38
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
BCAT1 P54687 2/20 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
SCHEMBL5553361 0.82 PTK2 (0.41) FNTAFNTBPGGT1BTAAR1
SCHEMBL3516600 0.80 FNTA (0.37) SCN9AFNTAFNTBPGGT1BTAAR1
SCHEMBL3689981 0.78 FNTA (0.42) FNTAFNTBPGGT1BTAAR1
SCHEMBL3518730 0.78 FNTA (0.56) FNTAFNTBPGGT1BTAAR1
SCHEMBL3515228 0.77 FNTA (0.39) SCN9AFNTAFNTBPGGT1BTAAR1
SCHEMBL8130724 0.77 TAAR1 (0.38) FNTAFNTBPGGT1BTAAR1
SCHEMBL5552124 0.76 FNTA (0.59) FNTAFNTBPGGT1BTAAR1
SCHEMBL5548771 0.76 FNTA (0.56) FNTAFNTBPGGT1BTAAR1
SCHEMBL8194754 0.75 FNTA (0.36) SCN9AFNTAFNTBPGGT1BTAAR1
SCHEMBL8200471 0.75 FNTA (0.36) SCN9AFNTAFNTBPGGT1BTAAR1

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 12 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-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP claimed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO claimed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
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
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 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