SCHEMBL8979744

SCHEMBL8979744

CNC(=O)c1cncc(-c2ccc3c(c2)c(C[C@H]2CCCN2C)cn3C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
HTR6 P50406 4/20 0.37
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2B Q13554 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CHRNB1 P11230 6/20 0.36
CHRNB2 P17787 6/20 0.36
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36
CHRNB3 Q05901 6/20 0.36
GPR119 Q8TDV5 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL19150272 0.79 HTR6 (0.45) HTR6CHRNB2
SCHEMBL8979664 0.79 HTR6 (0.45) HTR6CHRNB2
SCHEMBL8979691 0.78 HTR1B (0.57) HTR6
SCHEMBL8979707 0.77 HTR6 (0.40) HTR6PIM1MARK3MAP4K2CAMK2B
SCHEMBL19540506 0.73 HTR6 (0.44) HTR6
SCHEMBL8979689 0.73 HTR6 (0.40) HTR6PIM1MARK3MAP4K2CAMK2B
SCHEMBL6968008 0.71 HTR1D (0.51) HTR6
SCHEMBL19170911 0.70 HTR6 (0.50) HTR6
SCHEMBL8979699 0.70 HTR1B (0.58) HTR6
SCHEMBL2180885 0.65 HTR6 (0.46) HTR6CHRNB2

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
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
EP-0636129-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS Pfizer Limited (GB) 1995-02-01 EP disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed