SCHEMBL3517536

SCHEMBL3517536

COc1ccccc1C1(C(=O)N2CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
ITGA4 P13612 15/20 0.37
ITGB7 P26010 15/20 0.37
ITGB1 P05556 1/20 0.36
CPA1 P15085 1/20 0.35
CYP19A1 P11511 1/20 0.34
TACR3 P29371 1/20 0.34

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
SCHEMBL3515229 0.87 MEN1 (0.42) PIN1CPA1CYP19A1
SCHEMBL7555138 0.86 CYP3A4 (0.44) CYP19A1
SCHEMBL3518402 0.86 OPRD1 (0.38) FNTAFNTBPGGT1B
SCHEMBL3517526 0.82 FNTA (0.37) FNTAFNTBPGGT1BCPA1CYP19A1
SCHEMBL7192580 0.81 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL3501100 0.80 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7156162 0.78 CYP19A1 (0.42) CPA1CYP19A1
SCHEMBL3517223 0.78 FNTA (0.35) FNTAFNTBPGGT1BTACR3
SCHEMBL7472622 0.78 FNTA (0.35) FNTAFNTBPGGT1BCPA1CYP19A1
SCHEMBL7594805 0.77 FASN (0.45)

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 11 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-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 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-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed