SCHEMBL8778371

SCHEMBL8778371

CC(CC1CCC[N+](C)(C)C1)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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 0.30
CHRNA7 P36544 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL8468414 0.98 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8385047 0.85 FDPS (0.42) CHRNB2CHRNB4CHRNA3CHRNA4METAP1
Hydrochloric Acid SCHEMBL8467473 0.83 FDPS (0.41) CHRNB2CHRNB4CHRNA3CHRNA4METAP1
Iodide SCHEMBL8384545 0.83 FDPS (0.41) CHRNB2CHRNB4CHRNA3CHRNA4METAP1
SCHEMBL8778309 0.82 FDPS (0.35) CHRNB2CHRNB4CHRNA3CHRNA4METAP1
SCHEMBL8778430 0.81
Hydrochloric Acid SCHEMBL8468445 0.81 FDPS (0.34) CHRNB2CHRNB4CHRNA3CHRNA4METAP1
Hydrochloric Acid SCHEMBL8465324 0.79
Iodide SCHEMBL7860080 0.77 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
Iodide SCHEMBL8715336 0.76 CHRNB2 (0.30) 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 1 patent. 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