SCHEMBL8979707

SCHEMBL8979707

CN(C)C(=O)c1cccc(-c2ccc3c(c2)c(C[C@H]2CCCN2C)cn3C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
EPHX1 P07099 1/20 0.36
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34
MAP4K2 Q12851 1/20 0.34
CAMK2B Q13554 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SCN9A Q15858 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP30 Q70CQ3 2/20 0.34
UCHL1 P09936 1/20 0.33

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
SCHEMBL8979704 0.78 HTR1B (0.55) HTR6HTR1DHTR1B
SCHEMBL19150272 0.78 HTR6 (0.45) HTR6EPHX1HTR1DHTR1BL3MBTL1
SCHEMBL8979664 0.78 HTR6 (0.45) HTR6EPHX1HTR1DHTR1BL3MBTL1
SCHEMBL8979744 0.77 GSK3B (0.41) HTR6PIM1MARK3MAP4K2CAMK2B
SCHEMBL8979734 0.74 HTR6 (0.38) HTR6HTR1DHTR1B
SCHEMBL19540506 0.72 HTR6 (0.44) HTR6EPHX1
SCHEMBL8979689 0.72 HTR6 (0.40) HTR6EPHX1PIM1MARK3MAP4K2
SCHEMBL19170911 0.71 HTR6 (0.50) HTR6L3MBTL1
SCHEMBL6968008 0.70 HTR1D (0.51) HTR6SCN9AHTR1DHTR1B
SCHEMBL9545537 0.69 HTR1B (0.57) HTR6HTR1DHTR1B

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
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed