SCHEMBL5553380

SCHEMBL5553380

COCC[C@H]1CN(c2cccc(C)c2C)CCN1Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.60
FNTB P49356 15/20 0.60
PGGT1B P53609 5/20 0.60
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43

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
SCHEMBL3499539 0.85 FNTA (0.82) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL3499541 0.85 FNTA (0.82) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL5551933 0.76 FNTA (0.77) FNTAFNTBPGGT1B
SCHEMBL445627 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL445625 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL31472029 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL3845902 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL5583314 0.74 FNTA (0.72) FNTAFNTBPGGT1B
SCHEMBL5553376 0.73 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL7855591 0.71 FNTA (1.00) FNTAFNTBPGGT1B

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
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