SCHEMBL18312959

SCHEMBL18312959

O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(P)c2cc(Br)ccc2-3)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 9/20 0.42
ADAM10 O14672 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
ENPP2 Q13822 2/20 0.33
ATXN2 Q99700 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 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
SCHEMBL203759 0.94 PRCP (0.43) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2707808 0.94 PRCP (0.43) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2710081 0.92 PRCP (0.41) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2706697 0.86 PRCP (0.41) PRCPADAM10MMP2MMP3MMP9
SCHEMBL204341 0.86 PRCP (0.41) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2707006 0.86 ADAM10 (0.42) PRCPADAM10MMP2MMP3MMP9
SCHEMBL206727 0.86 ADAM10 (0.42) PRCPADAM10MMP2MMP3MMP9
SCHEMBL8749781 0.85 PRCP (0.37) PRCPADAM10MMP2MMP3MMP9
SCHEMBL14982876 0.85 PRCP (0.39) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2757203 0.83 PRCP (0.39) PRCPADAM10MMP2MMP3MMP9

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
WO-2016199049-A1 PROCESS FOR THE PREPARATION OF LEDIPASVIR HETERO RESEARCH FOUNDATION (IN) 2016-12-15 WO disclosed