SCHEMBL17082127

SCHEMBL17082127

COC(=O)Nc1ccc(N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
PSMD14 O00487 1/20 0.36
USP2 O75604 1/20 0.36
MMP2 P08253 1/20 0.36
HRH3 Q9Y5N1 12/20 0.35
KCNH2 Q12809 6/20 0.35
PRKDC P78527 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL4570177 1.00 GFER (0.42) GFERPSMD14USP2MMP2HRH3
SCHEMBL4570178 0.92 SMN1; SMN2 (0.41) GFERPSMD14USP2MMP2HRH3
SCHEMBL3706526 0.92 GFER (0.42) GFERPSMD14USP2MMP2HRH3
SCHEMBL3706523 0.92 GFER (0.42) GFERPSMD14USP2MMP2HRH3
SCHEMBL2698020 0.92 GFER (0.42) GFERPSMD14USP2MMP2HRH3
SCHEMBL2698014 0.92 GFER (0.42) GFERPSMD14USP2MMP2HRH3
SCHEMBL5930212 0.89 GFER (0.47) GFERPSMD14USP2MMP2HRH3
SCHEMBL4570179 0.88 GFER (0.38) GFERPSMD14USP2MMP2HRH3
SCHEMBL17082180 0.88 GFER (0.38) GFERPSMD14USP2MMP2HRH3
SCHEMBL4570035 0.86 AADAT (0.40) GFERUSP2CYP3A4HSD17B10

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-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed