SCHEMBL19706830

SCHEMBL19706830

CCOC(=O)CNc1ccc(OC)nc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.46
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
CASP3 P42574 6/20 0.40
NR2F2 P24468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
PPP1CA P62136 1/20 0.39
KMT2A Q03164 1/20 0.39
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL19692418 0.87 NOS2 (0.42) ALOX15NPSR1LMNAMEN1NPC1
SCHEMBL20995966 0.84 BTK (0.42) MERTK
SCHEMBL336704 0.83 ELANE (0.36) OPRM1OPRK1OGFRL1LMNAALDH1A1
SCHEMBL1725407 0.83 ALDH1A1 (0.48) LMNANPC1ALDH1A1RAB9AMAPT
SCHEMBL3846399 0.76 LMNA (0.38) LMNAALDH1A1MAPTKDM4ETP53
SCHEMBL335976 0.76 LMNA (0.43) ALOX15OPRK1LMNAMEN1ALDH1A1
SCHEMBL19707058 0.74 CRHR1 (0.39) MERTK
SCHEMBL496337 0.73 RIPK1 (0.49) ALDH1A1AXLMERTKKDM4E
SCHEMBL496141 0.73 POLB (0.54) NPSR1RAB9AAXLMERTK
SCHEMBL3841789 0.72 KCNA3 (0.42) LMNAMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017211759-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed
WO-2017211760-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed