SCHEMBL13664671

SCHEMBL13664671

CN1CCCN(c2ccc(NC(=O)C3Cc4ccccc4CN3C(=O)Nc3ccc(Cl)cc3)cc2)C(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.54
CFTR P13569 6/20 0.48
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43

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
SCHEMBL13626564 1.00 F10 (0.54) F10CFTRLMNAPKMMEN1
SCHEMBL13626560 0.95 F10 (0.52) F10CFTRLMNAPKMMEN1
SCHEMBL13626550 0.87 NAMPT (0.51) F10CFTRLMNAPKMMEN1
SCHEMBL13626504 0.87 NAMPT (0.51) F10CFTRLMNAPKMMEN1
SCHEMBL13626549 0.87 NAMPT (0.51) F10CFTRLMNAPKMMEN1
SCHEMBL13626511 0.84 F10 (0.70) F10CFTR
SCHEMBL3699002 0.80 CFTR (0.49) F10CFTRLMNAPKMMEN1
SCHEMBL3699004 0.80 CFTR (0.51) F10CFTRLMNAPKMMEN1
SCHEMBL13626552 0.79 F10 (0.61) F10CFTR
SCHEMBL13626553 0.79 F10 (0.61) F10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed