SCHEMBL20649248

SCHEMBL20649248

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.37
MAP3K5 Q99683 3/20 0.36
ABL1 P00519 2/20 0.36
RIN1 Q13671 2/20 0.36
HTR1F P30939 2/20 0.35
MCHR1 Q99705 1/20 0.34
POLB P06746 1/20 0.33
FLT3 P36888 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 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
SCHEMBL20648913 1.00 QPCT (0.37) QPCTMAP3K5ABL1RIN1HTR1F
SCHEMBL20648904 0.92 MAP3K5 (0.37) QPCTMAP3K5ABL1RIN1HTR1F
SCHEMBL20649017 0.90 TRPV4 (0.38) QPCTMAP3K5ABL1RIN1HTR1F
SCHEMBL20648905 0.90 TRPV4 (0.38) QPCTMAP3K5ABL1RIN1HTR1F
SCHEMBL20649249 0.85 HRH2 (0.40) QPCTMAP3K5ABL1RIN1HTR1F
SCHEMBL20648911 0.84 MAP3K5 (0.39) QPCTMAP3K5ABL1RIN1HTR1F
SCHEMBL20648776 0.83 MAP3K5 (0.39) MAP3K5ABL1RIN1POLBMEN1
SCHEMBL20649188 0.82 MAP3K5 (0.37) MAP3K5ABL1RIN1HTR1FPOLB
SCHEMBL20648898 0.82 MAP3K5 (0.37) MAP3K5ABL1RIN1HTR1FPOLB
SCHEMBL20649215 0.80 MAP3K5 (0.46) MAP3K5ABL1RIN1POLBMEN1

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