SCHEMBL8085232

SCHEMBL8085232

CC(=O)Nc1cc(Cl)cn(C2c3cc(C#N)ccc3OC(C)(C)C2(C)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.42
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38

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
SCHEMBL8090489 0.90 KDM4E (0.39) ABCC9KDM4EDRD2DRD3
SCHEMBL8077252 0.88 ABCC9 (0.45) ABCC9
SCHEMBL8085315 0.87 DRD2 (0.44) ABCC9KDM4EDRD2DRD3
SCHEMBL8088939 0.86 ABCC9 (0.40) ABCC9KDM4E
SCHEMBL8088709 0.86 ABCC9 (0.44) ABCC9
SCHEMBL8085254 0.84 MAPT (0.35) ABCC9
SCHEMBL8085192 0.84 DRD2 (0.40) ABCC9KDM4EDRD2DRD3
SCHEMBL8085325 0.83 ABCC9 (0.57) ABCC9KDM4E
SCHEMBL8085345 0.83 DRD2 (0.42) ABCC9KDM4EDRD2DRD3
SCHEMBL8085209 0.83 ABCC9 (0.42) ABCC9

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 5 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
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed