SCHEMBL5262879

SCHEMBL5262879

CCCCC(N)C(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.61
LAP3 P28838 2/20 0.47
GGPS1 O95749 6/20 0.44
S1PR2 O95136 3/20 0.42
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 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
SCHEMBL8591903 0.92 FDPS (0.68) FDPSLAP3GGPS1S1PR2S1PR1
SCHEMBL6665925 0.88 FDPS (0.50) FDPSLAP3GGPS1
SCHEMBL6132043 0.79 LAP3 (0.46) FDPSLAP3GGPS1
SCHEMBL5489929 0.79 LAP3 (0.46) FDPSLAP3GGPS1
SCHEMBL28358933 0.74 FDPS (0.38) FDPSLAP3
SCHEMBL16005037 0.73 OPRM1 (0.40) FDPSLAP3
SCHEMBL28355348 0.73 FDPS (0.41) FDPSLAP3GGPS1
SCHEMBL11040827 0.73 LAP3 (0.56) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL15755365 0.72 CA2 (0.41) FDPSLAP3
SCHEMBL5054803 0.72 FDPS (0.41) FDPSLAP3GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411087-B2 Process for preparation of bisphosphonic acid compounds SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-08-12 US disclosed
EP-1817297-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Inc. (US) 2007-08-15 EP disclosed
WO-2006056854-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-06-01 WO disclosed
US-20020061866-A1 Pharmaceutical compositions comprising in combination a bisphosphonate and a matrix metalloproteinase inhibitor BATAILLE FRAN CCEDIL OIS-REGIS (FR) 2002-05-23 US disclosed