SCHEMBL7113121

SCHEMBL7113121

CCCC(OC(=O)CN)OC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
METAP1 P53582 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FAAH O00519 4/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL406807 0.81 ALDH1A1 (0.40) HTR2CCHRM1AKR1A1CHRM3HTR2A
SCHEMBL21023233 0.80 FAAH (0.42) HTR2CCHRM1AKR1A1CHRM3HTR2A
SCHEMBL19443244 0.80 FAAH (0.42) HTR2CCHRM1AKR1A1CHRM3HTR2A
SCHEMBL3486034 0.80 FAAH (0.42) HTR2CCHRM1AKR1A1CHRM3HTR2A
SCHEMBL2381597 0.80 MGAM (0.46) HTR2CCHRM1AKR1A1CHRM3HTR2A
SCHEMBL12611847 0.79 LMNA (0.47) HTR2CALDH1A1FAAHCNR1CNR2
SCHEMBL4489685 0.78 HTR2C (0.33) HTR2CCHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL12612282 0.78 LMNA (0.50) HTR2CALDH1A1LMNA
SCHEMBL11686100 0.77 FAAH (0.43) HTR2CCHRM1AKR1A1CHRM3HTR2A
SCHEMBL632803 0.77 TSHR (0.42) HTR2CCHRM1AKR1A1CHRM3HTR2A

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-1352957-A1 Carriers for covalent immobilization of enzymes Resindion S.R.L. (IT) 2003-10-15 EP disclosed