SCHEMBL9565325

SCHEMBL9565325

O=P(O)(O)C(N1CCNCC1)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.60
ANPEP P15144 2/20 0.39
ERAP2 Q6P179 2/20 0.39
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRD1 P41143 4/20 0.33
CHKA P35790 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 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
SCHEMBL9175624 0.98 FDPS (0.58) FDPSANPEPERAP2CA2CA12
SCHEMBL3277730 0.98 FDPS (0.58) FDPSANPEPERAP2CA2CA12
SCHEMBL9601894 0.98 FDPS (0.58) FDPSANPEPERAP2CA2CA12
SCHEMBL12250790 0.86 FDPS (0.50) FDPSANPEPERAP2CA2CA12
SCHEMBL9601881 0.86 FDPS (0.45) FDPSANPEPERAP2CA2CA12
SCHEMBL3080928 0.82 FDPS (0.75) FDPSANPEPERAP2
SCHEMBL203348 0.82 FDPS (0.75) FDPSANPEPERAP2
SCHEMBL898693 0.82 FDPS (0.75) FDPSANPEPERAP2
SCHEMBL6668799 0.78 FDPS (0.39) FDPSANPEPERAP2
SCHEMBL2203676 0.77 FDPS (0.85) FDPSANPEPERAP2

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-0561296-A1 Cyclic aminomethylene bisphosphonate derivatives HOECHST JAPAN LIMITED (JP) 1993-09-22 EP disclosed