SCHEMBL10644166

SCHEMBL10644166

CCCC[CH]CCC(C)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4556064 0.81 HRH3 (0.44) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL24114952 0.81 HRH3 (0.44) HRH3MAPTALDH1A1L3MBTL1MAPK1
Water SCHEMBL28467825 0.79 HRH3 (0.42) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL24604493 0.79 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL4274466 0.79 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL28224805 0.79 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL28237829 0.78 HRH3 (0.41) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL3869954 0.78 HRH3 (0.41) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL24998924 0.77 HRH3 (0.38) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL15740500 0.77 HRH3 (0.38) HRH3MAPTALDH1A1L3MBTL1MAPK1

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-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP disclosed