SCHEMBL9033441

SCHEMBL9033441

CCOC(=O)C(N)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9032686 0.99 HRH3 (0.41) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9032671 0.86 HRH3 (0.42) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9033916 0.85 HRH3 (0.40) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9033194 0.85 HRH3 (0.45) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL8697759 0.85 HRH3 (0.45) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9032167 0.84 HRH3 (0.44) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9034996 0.83 HRH3 (0.43) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9034551 0.81 HRH3 (0.39) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL8697765 0.80 HRH3 (0.43) HRH3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9033054 0.80 HRH3 (0.44) HRH3KDM4EALDH1A1L3MBTL1MAPT

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