SCHEMBL8749781

SCHEMBL8749781

Bc1ccc2c(c1)C(F)(F)c1cc(-c3cnc([C@@H]4CC5(CC5)CN4C(=O)OCc4ccccc4)[nH]3)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 9/20 0.37
ADAM10 O14672 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
ENPP2 Q13822 2/20 0.33
ATXN2 Q99700 2/20 0.33

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
SCHEMBL14982876 0.91 PRCP (0.39) PRCPADAM10MMP2MMP3MMP9
SCHEMBL203759 0.91 PRCP (0.43) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2707808 0.91 PRCP (0.43) PRCPADAM10MMP2MMP3MMP9
SCHEMBL15368434 0.88 ADAM10 (0.38) PRCPADAM10MMP2MMP3MMP9
SCHEMBL18312959 0.85 PRCP (0.42) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2710081 0.84 PRCP (0.41) PRCPADAM10MMP2MMP3MMP9
SCHEMBL206727 0.81 ADAM10 (0.42) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2707006 0.81 ADAM10 (0.42) PRCPADAM10MMP2MMP3MMP9
SCHEMBL2706697 0.80 PRCP (0.41) PRCPADAM10MMP2MMP3MMP9
SCHEMBL204341 0.80 PRCP (0.41) 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-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed