SCHEMBL28865327

SCHEMBL28865327

CN[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)cc3)c(-c3ccccc3)c2)C1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.78
PDK2 Q15119 1/20 0.56
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
MCHR1 Q99705 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL28390856 0.93 KDM1A (0.71) KDM1APDK2
SCHEMBL20512869 0.88 KDM1A (1.00) KDM1A
SCHEMBL14924420 0.82 KDM1A (0.63) KDM1APDK2ALDH1A1HRH4
SCHEMBL20512928 0.81 KDM1A (0.84) KDM1A
SCHEMBL2132882 0.78 EPHX1 (0.63) KDM1APDK2ALDH1A1SMN1; SMN2HRH4
SCHEMBL2132888 0.78 EPHX1 (0.63) KDM1APDK2ALDH1A1SMN1; SMN2HRH4
SCHEMBL7881494 0.78 EPHX1 (0.63) KDM1APDK2ALDH1A1SMN1; SMN2HRH4
SCHEMBL26107457 0.77 KDM1A (0.67) KDM1A
SCHEMBL20512515 0.76 KDM1A (1.00) KDM1A
SCHEMBL16002965 0.76 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2

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-108602770-A Novel biphenol compound or its salt 大鹏药品工业株式会社 2018-09-28 CN disclosed