SCHEMBL6026541

SCHEMBL6026541

CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CCCN2C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.45
MMP12 P39900 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL6026449 0.90 BMP1 (0.44) BMP1MMP12OPRM1OPRD1OPRK1
SCHEMBL6025330 0.88 BMP1 (0.43) BMP1MMP12OPRM1OPRD1OPRK1
SCHEMBL6024785 0.87 BMP1 (0.42) BMP1MMP12OPRM1OPRD1OPRK1
SCHEMBL6024825 0.84 MAPT (0.40) OPRM1OPRD1OPRK1MAPTMEN1
Formaldehyde SCHEMBL6024828 0.83 MAPT (0.40) OPRM1OPRD1OPRK1MAPTMEN1
SCHEMBL6023890 0.82 BMP1 (0.44) BMP1MMP12MAPTALDH1A1GAA
SCHEMBL6024553 0.80 TAS1R3 (0.52) BMP1MMP12
SCHEMBL17685459 0.78 BMP1 (0.47) BMP1MMP12
SCHEMBL6024347 0.77 BMP1 (0.49) BMP1MMP12HPGD
SCHEMBL6023887 0.77 BMP1 (0.47) BMP1MMP12HPGD

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
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US claimed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US disclosed