SCHEMBL27504591

SCHEMBL27504591

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
DRD3 P35462 1/20 0.48
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 2/20 0.47
KCNA3 P22001 1/20 0.46
SCN9A Q15858 1/20 0.44
EPHX2 P34913 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7583988 1.00 DRD2 (0.60) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL5519650 0.93 DRD2 (0.55) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL5537816 0.93 DRD2 (0.55) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL16524042 0.86 KMT2A (0.52) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL30772788 0.84 CYP2C9 (0.48) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL19898547 0.84 CYP2C9 (0.48) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4814305 0.81 KDM1A (0.52) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL4627783 0.81 KDM1A (0.52) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL13652282 0.81 KCNA3 (0.60) DRD2KDM1ADRD3KMT2AL3MBTL1
SCHEMBL30993286 0.80 KMT2A (0.47) DRD2KDM1AMAOBKMT2AL3MBTL1

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
CN-1242993-C Heterocycle derivatives and drugs NIPPON SHINYAKU CO LTD (JP) 2006-02-22 CN disclosed
CN-1422255-A Heterocycle derivatives and drugs NIPPON SHINYAKU CO LTD (JP) 2003-06-04 CN disclosed