SCHEMBL20649249

SCHEMBL20649249

CNC1CCN(CCCCn2ccc(NC(=O)c3ccc(NC(=O)C(N)CO)cc3)nc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
QPCT Q16769 1/20 0.37
ABL1 P00519 2/20 0.36
RIN1 Q13671 2/20 0.36
HTR1F P30939 2/20 0.35
SPHK1 Q9NYA1 2/20 0.34
MCHR1 Q99705 1/20 0.34
DRD2 P14416 2/20 0.33
MAP3K5 Q99683 1/20 0.33
FLT3 P36888 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 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
SCHEMBL20648913 0.85 QPCT (0.37) QPCTABL1RIN1HTR1FMCHR1
SCHEMBL20649248 0.85 QPCT (0.37) QPCTABL1RIN1HTR1FMCHR1
SCHEMBL20648866 0.77 SPHK1 (0.36) ABL1RIN1SPHK1KMT2A
SCHEMBL20648911 0.77 MAP3K5 (0.39) HRH2HRH1QPCTABL1RIN1
SCHEMBL20648645 0.76 ABL1 (0.36) HRH2HRH1ABL1RIN1SPHK1
SCHEMBL20648904 0.76 MAP3K5 (0.37) QPCTABL1RIN1HTR1FDRD2
SCHEMBL20648931 0.76 CA2 (0.34) ABL1RIN1SPHK1
SCHEMBL20649005 0.76 SPHK1 (0.37) ABL1RIN1SPHK1
SCHEMBL20649208 0.76 SPHK1 (0.34) ABL1RIN1HTR1FSPHK1MCHR1
SCHEMBL20648979 0.76 SPHK1 (0.34) ABL1RIN1HTR1FSPHK1MCHR1

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-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed