SCHEMBL3352142

SCHEMBL3352142

Cn1c(=O)ccc2ncc(Cl)c(OC[C@H]3CC[C@H](N(C(=O)O)C(C)(C)C)CC3)c21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.38
CNR2 P34972 8/20 0.37
PDE4D Q08499 1/20 0.36
CNR1 P21554 1/20 0.34

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
SCHEMBL3378582 0.88 RORC (0.33) RORCCNR2
SCHEMBL3345234 0.84 CNR2 (0.34) CNR2
SCHEMBL3347085 0.81 RORC (0.40) RORCCNR2PDE4D
SCHEMBL3347090 0.81 RORC (0.40) RORCCNR2PDE4D
SCHEMBL3379792 0.80 RORC (0.38) RORCCNR2PDE4D
SCHEMBL3379795 0.80 RORC (0.38) RORCCNR2PDE4D
SCHEMBL3106752 0.78 OPRM1 (0.35)
SCHEMBL3111829 0.71 KCNH2 (0.38)
SCHEMBL3331892 0.70 KCNH2 (0.37)
SCHEMBL3110372 0.70 ELANE (0.33) RORC

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-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed