SCHEMBL28801840

SCHEMBL28801840

CC(C)(C)C1CN(CCOc2ccc(CO)cc2)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
LTA4H P09960 13/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20423427 0.87 KDM4E (0.57) DRD2DRD3LTA4HALDH1A1KDM4E
SCHEMBL21996912 0.82 S1PR5 (0.40) HRH3MEN1KMT2A
SCHEMBL26098436 0.80 KDM4E (0.58) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19611373 0.75 HTR1B (0.40) DRD2DRD3LTA4HALDH1A1KDM4E
SCHEMBL2076961 0.75 MAPK1 (0.37) ALDH1A1KDM4ELMNAKMT2A
SCHEMBL15435944 0.75 HTR1A (0.35) DRD2DRD3ALDH1A1KDM4EHRH3
SCHEMBL1525497 0.73 CYP2J2 (0.33) DRD2DRD3LMNAMEN1KMT2A
SCHEMBL19611369 0.72 ACVR1 (0.42) DRD2DRD3ALDH1A1KDM4ELMNA
SCHEMBL26101702 0.72 HRH3 (0.41) KDM4ELMNAHRH3
SCHEMBL25747712 0.72 GPR4 (0.56) DRD2DRD3LTA4HHRH3

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
CN-114702439-A Naphthylurea-piperazine compounds and preparation method and application thereof 河南省锐达医药科技有限公司 2022-07-05 CN disclosed