SCHEMBL8090684

SCHEMBL8090684

CC(=O)Nc1cc(Cl)c(=O)n(C2=CC(C)(C)Oc3ccc(C#N)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.38
DRD2 P14416 6/20 0.38
DRD3 P35462 6/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCC9 O60706 7/20 0.35
KDM4E B2RXH2 1/20 0.34
AR P10275 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
SCHEMBL8085352 0.89 PDE4A (0.39) EGLN2DRD2DRD3PDE4APDE4B
SCHEMBL8088372 0.87 PDE4A (0.39) EGLN2DRD2DRD3PDE4APDE4B
SCHEMBL8088696 0.85 PDE4A (0.37) EGLN2DRD2DRD3PDE4APDE4B
SCHEMBL8085358 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8088667 0.83 KMT2A (0.42)
SCHEMBL9371959 0.83 EGLN2 (0.39) EGLN2DRD2DRD3ABCC9AR
SCHEMBL8085132 0.83 EGLN2 (0.39) EGLN2DRD2DRD3ABCC9KDM4E
SCHEMBL8084413 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9733497 0.81 EGLN2 (0.38) EGLN2DRD2DRD3AR
SCHEMBL8077310 0.81 PDE4A (0.37) DRD2DRD3PDE4APDE4BPDE4C

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed