SCHEMBL5553376

SCHEMBL5553376

COCC[C@H]1CN(c2cccc(C)c2C)CCN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.40
FNTB P49356 6/20 0.40
PGGT1B P53609 1/20 0.35
CYP19A1 P11511 3/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRA2A P08913 4/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
TSHR P16473 3/20 0.32
ADRA1D P25100 2/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 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
SCHEMBL3517007 0.90 FNTA (0.50) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3499540 0.86 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3682663 0.86 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1ADRA2A
Trifluoroacetic Acid SCHEMBL7751305 0.81 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3845908 0.76 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL445626 0.76 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3687066 0.76 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL2381616 0.75 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL8456034 0.75 FNTA (0.39) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL5553380 0.73 FNTA (0.60) 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