SCHEMBL5823936

SCHEMBL5823936

O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2cc(NC3CCCCC3)ccc2C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.63
FNTB P49356 14/20 0.63
ACKR3 P25106 1/20 0.36

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
SCHEMBL3499535 0.92 FNTA (0.75) FNTAFNTBACKR3
SCHEMBL3501149 0.90 FNTA (0.75) FNTAFNTBACKR3
SCHEMBL3502196 0.90 FNTA (0.60) FNTAFNTBACKR3
SCHEMBL3502422 0.88 FNTA (0.59) FNTAFNTB
SCHEMBL3502908 0.88 FNTA (0.64) FNTAFNTB
SCHEMBL6312671 0.87 FNTA (0.49) FNTAFNTBACKR3
SCHEMBL3501593 0.87 FNTA (0.61) FNTAFNTB
SCHEMBL3499170 0.86 FNTA (0.61) FNTAFNTBACKR3
SCHEMBL3500599 0.86 FNTA (0.62) FNTAFNTB
SCHEMBL3501412 0.85 FNTA (0.74) FNTAFNTB

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
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed