SCHEMBL3687066

SCHEMBL3687066

CCCCC1CN(c2cccc(C)c2C)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.59
FNTB P49356 13/20 0.59
PGGT1B P53609 2/20 0.59
CYP19A1 P11511 2/20 0.35
GRM2 Q14416 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
KCNH2 Q12809 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL445626 1.00 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1GRM2
Trifluoroacetic Acid SCHEMBL8147178 0.94 FNTA (0.54) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445939 0.94 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
SCHEMBL5131468 0.94 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
Hydrochloric Acid SCHEMBL8541088 0.93 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
Hydrochloric Acid SCHEMBL8160943 0.93 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
SCHEMBL3499540 0.90 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3682663 0.90 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3684726 0.89 FNTA (0.51) FNTAFNTBPGGT1BGRM2
SCHEMBL3501112 0.89 FNTA (0.56) FNTAFNTBPGGT1BGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO disclosed