SCHEMBL1970098

SCHEMBL1970098

NCC1CCN(CC2(C(=O)O)CCOCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
NCF1 P14598 1/20 0.33
HTR4 Q13639 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CXCR4 P61073 1/20 0.31
CYP2D6 P10635 1/20 0.30
KDM1A O60341 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
SCHEMBL1970445 0.89 PLG (0.40) PLGPLATLMNANCF1CHRM2
SCHEMBL8262149 0.86 PLG (0.38) PLGPLATLMNANCF1CHRM2
SCHEMBL3296699 0.85 CYP2C19 (0.41) PLGPLATLMNANCF1CHRM2
SCHEMBL5114260 0.83 HTR4 (0.34) NCF1HTR4
SCHEMBL1971158 0.83 GAA (0.40) ALDH1A1L3MBTL1KDM4E
SCHEMBL1971581 0.80 USP2 (0.35) NCF1HTR4
SCHEMBL1971583 0.79 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL2010650 0.78 HTR4 (0.41) NCF1HTR4ALDH1A1CXCR4
SCHEMBL1969361 0.78 DPP4 (0.35) ALDH1A1NPSR1L3MBTL1HSD17B10
SCHEMBL3714798 0.76 HSD17B10 (0.48) ALDH1A1KDM4EHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856110-B1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2011-06-22 EP disclosed
EP-1856110-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS Pfizer, Inc. (US) 2007-11-21 EP disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2006090279-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2006-08-31 WO disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 WO disclosed