SCHEMBL4585576

SCHEMBL4585576

CC(=O)Nc1ccc(N(CC[C@@H](C)N)C2CCNCC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.36
PTK2 Q05397 1/20 0.36
AAK1 Q2M2I8 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
DEGS1 O15121 1/20 0.33
ABL1 P00519 3/20 0.33
GRIN2B Q13224 1/20 0.33
CACNA1B Q00975 1/20 0.32
TDO2 P48775 1/20 0.32
GLS O94925 1/20 0.32
CYP3A4 P08684 1/20 0.32
BCR P11274 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL4585573 0.80 HTR1F (0.36) HTR1FPTK2CYP1A2GAAABL1
SCHEMBL4001973 0.78 GCK (0.41) ABL1
SCHEMBL4002694 0.77 SLC6A4 (0.39) ABL1CACNA1B
SCHEMBL4001474 0.77 HTR1F (0.37) HTR1FCYP1A2CACNA1B
SCHEMBL4585644 0.75 MAPT (0.40) GAACACNA1B
SCHEMBL3999681 0.75 SLC6A2 (0.36) HTR1FPTK2CYP1A2CACNA1B
SCHEMBL3997779 0.75 SSTR5 (0.41) HTR1FCYP1A2TDO2
SCHEMBL3997842 0.75 PTK2 (0.37) HTR1FPTK2CYP1A2GAA
SCHEMBL3997886 0.74 ALOX15 (0.44) AAK1GAACYP3A4
SCHEMBL3997555 0.74 REN (0.40)

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
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed