SCHEMBL29223993

SCHEMBL29223993

NC(=O)OCCN1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
NCOR2 Q9Y618 2/20 0.56
HTR1A P08908 4/20 0.55
DRD2 P14416 4/20 0.55
HTR2A P28223 4/20 0.55
HTR7 P34969 4/20 0.55
DRD3 P35462 4/20 0.55
HTR2B P41595 4/20 0.55
HRH1 P35367 3/20 0.55
SLC6A4 P31645 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HDAC2 Q92769 1/20 0.51
PARP2 Q9UGN5 2/20 0.51
PARP1 P09874 1/20 0.51

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
SCHEMBL28348107 0.92 HTR1A (0.60) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL140310 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL10514635 0.81 HDAC3 (0.54) HDAC3HDAC1HDAC8NCOR2DRD2
SCHEMBL3891857 0.80 HDAC3 (0.68) HDAC3HDAC1HDAC8NCOR2HTR1A
Hydrochloric Acid SCHEMBL4251907 0.79 HDAC3 (0.67) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL4229925 0.79 HTR7 (0.73) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL4225894 0.78 HDAC3 (0.71) HDAC3HDAC1HDAC8NCOR2HTR1A
Hydrochloric Acid SCHEMBL4222979 0.78 HTR7 (0.71) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL141699 0.77 MAOB (0.61) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL11689265 0.77 HDAC8 (0.38) HDAC3HDAC1HDAC8NCOR2HTR1A

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-117642397-A Modified proteins and protein binders 上海睿跃生物科技有限公司 2024-03-01 CN disclosed