SCHEMBL3516600

SCHEMBL3516600

N#Cc1ccc(Cc2ncc[nH]2)cc1Oc1cccc2c1C(=O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.37
FNTB P49356 11/20 0.37
PGGT1B P53609 11/20 0.37
PTK2 Q05397 4/20 0.36
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SCN9A Q15858 1/20 0.32

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 0.94 PTK2 (0.41) FNTAFNTBPGGT1BPTK2TAAR1
SCHEMBL8130724 0.87 TAAR1 (0.38) FNTAFNTBPGGT1BTAAR1
SCHEMBL3516586 0.80 SCN9A (0.41) FNTAFNTBPGGT1BTAAR1SCN9A
SCHEMBL3515326 0.79 FNTA (0.39) FNTAFNTBPGGT1BTAAR1
SCHEMBL3518902 0.78 CYP19A1 (0.40) FNTAFNTBPGGT1BTAAR1
SCHEMBL8194754 0.77 FNTA (0.36) FNTAFNTBPGGT1BTAAR1SCN9A
SCHEMBL8200471 0.77 FNTA (0.36) FNTAFNTBPGGT1BTAAR1SCN9A
SCHEMBL3500545 0.76 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL3689981 0.76 FNTA (0.42) FNTAFNTBPGGT1BTAAR1
SCHEMBL3515254 0.74 FNTA (0.45) FNTAFNTBPGGT1BSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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