SCHEMBL7701197

SCHEMBL7701197

C=CCC(=O)C1CCCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NLRP1 Q9C000 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PRCP P42785 1/20 0.34
DPP4 P27487 4/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL37207 0.94 NOS2 (0.39) NOS2NOS3NOS1KMT2AMEN1
SCHEMBL37206 0.94 NOS2 (0.39) NOS2NOS3NOS1KMT2AMEN1
SCHEMBL9579255 0.78
SCHEMBL8521036 0.77 ALDH1A1 (0.38) FDPSNOS2NOS3NOS1KMT2A
SCHEMBL15886548 0.77 ALDH1A1 (0.38) FDPSNOS2NOS3NOS1KMT2A
SCHEMBL2143309 0.77 KMT2A (0.53) KMT2ALMNANPSR1PRCPHTR2C
SCHEMBL4630547 0.76 FDPS (0.43) FDPSNOS2NOS3NOS1KMT2A
SCHEMBL17929297 0.76 FDPS (0.43) FDPSNOS2NOS3NOS1KMT2A
SCHEMBL15307927 0.76 FDPS (0.43) FDPSNOS2NOS3NOS1KMT2A
SCHEMBL9040662 0.75 FDPS (0.42) FDPSNOS2NOS3NOS1KMT2A

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-2002024651-A1 A PROCESS FOR PRODUCING 2-AMINO-4,6-DISUBSTITUTED NICOTINIC ACID ESTER ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed