SCHEMBL5795559

SCHEMBL5795559

COCCN1C(=O)C(N)CC=CC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
FPR1 P21462 1/20 0.36
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.34
MAPK1 P28482 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL4841082 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL4841551 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL4843406 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL14254617 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL5792149 0.80 MEN1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTRECQL
SCHEMBL4845496 0.80 MEN1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTRECQL
SCHEMBL5791105 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4839870 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4843507 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4841214 0.78 TSHR (0.38) ALDH1A1LMNAMAPTKMT2AGAA

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
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed