SCHEMBL9031813

SCHEMBL9031813

CNC(CO)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
NCF1 P14598 1/20 0.33
GAA P10253 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL9035119 0.99 HRH3 (0.39) HRH3ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8703407 0.83 HRH3 (0.39) HRH3ALDH1A1KDM4ENCF1
SCHEMBL8703126 0.83 HRH3 (0.43) HRH3ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8699541 0.79 HRH3 (0.43) HRH3ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9032919 0.79 ALDH1A1 (0.40) HRH3ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9035300 0.77 CYP1A2 (0.33) NCF1
SCHEMBL8697899 0.77 HRH3 (0.45) HRH3ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8697765 0.76 HRH3 (0.43) HRH3ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9034153 0.76 CYP1A2 (0.33) HRH3SMN1; SMN2NCF1GAA
SCHEMBL8697829 0.76 HRH3 (0.44) HRH3ALDH1A1KDM4ETDP1L3MBTL1

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed