SCHEMBL6312671

SCHEMBL6312671

COc1ccccc1C(=O)N1CCN(Cc2c[nH]cn2)c2cc(NC3CCCCC3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.49
FNTB P49356 4/20 0.49
SYK P43405 1/20 0.43
PDE4B Q07343 1/20 0.42
GAA P10253 2/20 0.40
NAMPT P43490 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
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
SCHEMBL3499680 0.91 FNTA (0.58) FNTAFNTBSYKPDE4BNAMPT
SCHEMBL5823936 0.87 FNTA (0.63) FNTAFNTBACKR3
SCHEMBL3501261 0.81 FNTA (0.57) FNTAFNTBPOLBALDH1A1
SCHEMBL3499535 0.80 FNTA (0.75) FNTAFNTBALDH1A1KDM4EACKR3
SCHEMBL3501941 0.79 FNTA (0.54) FNTAFNTBPDE4BGAAHTT
SCHEMBL3501587 0.78 FNTA (0.59) FNTAFNTBPOLBALDH1A1ACKR3
SCHEMBL3501149 0.78 FNTA (0.75) FNTAFNTBALDH1A1ACKR3
SCHEMBL3502196 0.77 FNTA (0.60) FNTAFNTBACKR3
SCHEMBL5824051 0.76 ALDH1A1 (0.40) FNTAFNTBALDH1A1
SCHEMBL3499170 0.76 FNTA (0.61) FNTAFNTBACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed