SCHEMBL8253447

SCHEMBL8253447

CC(N)c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PTGS1 P23219 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCL8 P10145 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL8254385 1.00 MAPT (0.42) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL12052148 1.00 MAPT (0.42) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL4734654 0.86 RXRA (0.47) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL25941561 0.83 PTGS1 (0.42) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL12052133 0.80 PARP1 (0.55) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL8249965 0.80 PARP1 (0.55) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL7613565 0.80 ANPEP (0.64) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL8255364 0.80 PARP1 (0.55) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL7613619 0.80 ANPEP (0.64) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL505969 0.80 ANPEP (0.64) MAPTPTGS1CXCR1CXCR2PTGS2

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-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed