SCHEMBL28012199

SCHEMBL28012199

NCC1(C(=O)OCc2ccccc2)CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2447397 0.75 SLC6A2 (0.39) KMT2ASLC6A2SLC6A3LMNA
SCHEMBL5841607 0.74 SLC6A2 (0.39) KMT2ASLC6A2SLC6A3
SCHEMBL22339639 0.72 DDB1 (0.49) DDB1CRBNALDH1A1KMT2ACA12
SCHEMBL27527936 0.72 DDB1 (0.49) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL1502332 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL6105728 0.71 ALDH1A1 (0.45) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL6105732 0.71 ALDH1A1 (0.45) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL31034982 0.71 ALDH1A1 (0.49) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL12629111 0.71 ALDH1A1 (0.51) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL19151347 0.71 ALDH1A1 (0.51) DDB1CRBNALDH1A1KMT2AMEN1

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-102015697-B Amide derivatives and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO 2015-06-17 CN disclosed