SCHEMBL9191007

SCHEMBL9191007

O=C(O)CN(CCCO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KCNA3 P22001 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADRA2C P18825 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL547493 0.89 ALDH1A1 (0.51) ALDH1A1GAATDP1NPSR1L3MBTL1
SCHEMBL23468470 0.84 MEN1 (0.40) ALDH1A1GAATDP1KCNA3NPSR1
SCHEMBL1408147 0.84 MEN1 (0.42) ALDH1A1GAATDP1KCNA3NPSR1
SCHEMBL3342781 0.84 CNR2 (0.48) ALDH1A1GAATDP1NPSR1KMT2A
SCHEMBL6326806 0.82 NPC1 (0.53) ALDH1A1GAANPSR1NPC1POLB
SCHEMBL547411 0.82 TDP1 (0.47) ALDH1A1GAATDP1NPSR1L3MBTL1
SCHEMBL202173 0.82 TDP1 (0.50) ALDH1A1TDP1NPSR1L3MBTL1KMT2A
SCHEMBL547806 0.81 TDP1 (0.43) ALDH1A1GAATDP1NPSR1L3MBTL1
SCHEMBL4744062 0.81 NPC1 (0.55) ALDH1A1NPC1HTTRAB9ATP53
SCHEMBL10956818 0.81 NPC1 (0.55) ALDH1A1NPC1HTTRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399184-B1 Reagents, methods and kits for an amphetamine-class fluorescence polarization immunoassay ABBOTT LAB (US) 1995-09-13 EP disclosed
US-5354693-A Reagents, methods and kits for an amphetamine-class fluorescence polarization immunoassy ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
US-5248791-A Reagents, methods and kits for an amphetamine-class fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
US-5101015-A Nitrogen-functional-group-containing immunogen ABBOTT LABORATORIES (US) 1992-03-31 US disclosed
EP-0399184-A2 Reagents, methods and kits for an amphetamine-class fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-11-28 EP disclosed