SCHEMBL1012334

SCHEMBL1012334

CC(C)OC(=O)C1C(=O)C[C@@H]2CC[C@H]1N2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 2/20 0.44
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1011495 0.87 SLC6A4 (0.54) SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL1015012 0.87 SLC6A4 (0.54) SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL1010278 0.87 SLC6A4 (0.43) SLC6A4SLC6A3KMT2A
SCHEMBL1012738 0.85 ALDH1A1 (0.46) SLC6A4SLC6A3KMT2A
SCHEMBL1010265 0.83 FKBP1A (0.46) SLC6A4SLC6A3
SCHEMBL7247464 0.82 SLC6A4 (0.43) SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL1011459 0.81 SLC6A4 (0.42) SLC6A4SLC6A3
SCHEMBL31603470 0.76 KMT2A (0.44) SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL7652967 0.72 CYP2C19 (0.46) SLC6A4SLC6A3KMT2A
SCHEMBL1011983 0.72 SLC6A4 (0.54) SLC6A4SLC6A3KMT2A

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-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed