SCHEMBL6233015

SCHEMBL6233015

CC(N)(C1CCCCCC1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.42
METAP1 P53582 1/20 0.36
LMNA P02545 1/20 0.33
MMP2 P08253 5/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
MMP8 P22894 2/20 0.32
MMP1 P03956 2/20 0.32
EPHX1 P07099 1/20 0.32
MMP3 P08254 1/20 0.32
SSTR4 P31391 1/20 0.32
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL6056312 1.00 FDPS (0.42) FDPSMETAP1LMNAMMP2CA12
SCHEMBL6228821 0.98 FDPS (0.44) FDPSMETAP1LMNAMMP2CA12
SCHEMBL3794209 0.77 METAP1 (0.38) FDPSMETAP1MMP2CA12CA1
SCHEMBL4088811 0.77 METAP1 (0.38) FDPSMETAP1MMP2CA12CA1
SCHEMBL27864692 0.77 LMNA (0.36) FDPSMETAP1LMNAMMP2CA12
SCHEMBL12076033 0.75 FDPS (0.37) FDPSMETAP1LMNAMMP2CA12
SCHEMBL27466632 0.74 FDPS (0.42) FDPSLMNAGRM4
SCHEMBL27448352 0.74 FDPS (0.38) FDPSLMNAEPHX1
SCHEMBL6056331 0.72 FDPS (0.41) FDPSLMNAGRM4
SCHEMBL6352733 0.72 MMP2 (0.37) FDPSMETAP1MMP2CA12CA1

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
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP disclosed
EP-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed