SCHEMBL8778309

SCHEMBL8778309

C[N+]1(C)CCCC(CC(N)(P(=O)(O)O)P(=O)(O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
METAP1 P53582 1/20 0.33
SMPD1 P17405 2/20 0.32

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
Hydrochloric Acid SCHEMBL8468445 0.98 FDPS (0.34) FDPSCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8385047 0.83 FDPS (0.42) FDPSCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8778371 0.82 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4METAP1
Iodide SCHEMBL8384545 0.82 FDPS (0.41) FDPSCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8467473 0.82 FDPS (0.41) FDPSCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8778259 0.81 FDPS (0.38) FDPSSMPD1
Hydrochloric Acid SCHEMBL8468414 0.81 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8467287 0.80 FDPS (0.37) FDPSSMPD1
SCHEMBL8778434 0.76 FDPS (0.34) FDPSSMPD1
Iodide SCHEMBL7860080 0.76 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4

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-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP claimed
EP-0648120-A1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-04-19 EP claimed
WO-1994000129-A1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO claimed