SCHEMBL5309796

SCHEMBL5309796

CC(C)(C)OC(=O)Nc1cc(N)c(C(=O)OC(c2ccncc2)C2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.35
SLC6A4 P31645 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.32
PRMT1 Q99873 1/20 0.31
AAK1 Q2M2I8 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7244090 0.83 CYP17A1 (0.36) CYP17A1SLC6A4L3MBTL1SLC6A2SLC6A3
SCHEMBL5226962 0.82 CYP17A1 (0.36) CYP17A1SLC6A4L3MBTL1SLC6A2SLC6A3
SCHEMBL5317720 0.73 F10 (0.43) CYP17A1LMNAMAPTSMN1; SMN2
SCHEMBL7244377 0.71 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL76691 0.66 PRMT1 (0.46) PRMT1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL79068 0.66 MAPT (0.55) POLBPRMT1TDP1LMNAMAPT
SCHEMBL38654784 0.66 MAPT (0.55) POLBPRMT1TDP1LMNAMAPT
SCHEMBL27747825 0.66 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL5224710 0.65 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL5203871 0.63 ALDH1A1 (0.45) PRMT1TDP1LMNAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed