SCHEMBL6537987

SCHEMBL6537987

CNCCNc1c(COC)cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 16/20 0.47
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41

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
SCHEMBL6538197 0.87 PTGES (0.43) PTGESTP53MAPTNR1H2NR1H3
SCHEMBL6538307 0.84 MEN1 (0.48)
SCHEMBL6537982 0.84 PTGES (0.51) PTGESRXFP1
SCHEMBL6537831 0.83 PTGES (0.40) PTGES
SCHEMBL6537593 0.77 PTGES (0.46) PTGESRXFP1
SCHEMBL8486940 0.77 PTGES (0.45) PTGESTP53MAPTRXFP1
SCHEMBL6537998 0.76 PTGES (0.45) PTGESTP53MAPTRXFP1
SCHEMBL6537719 0.74 PTGES (0.40) PTGES
SCHEMBL6537820 0.74 RXFP1 (0.45) PTGESTP53MAPTRXFP1
SCHEMBL6538002 0.73 RXFP1 (0.45) PTGESTP53MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed