SCHEMBL2448532

SCHEMBL2448532

Cc1ccc(OC(=O)C(O)C(O)C(=O)O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.72
CHRM1 P11229 4/20 0.72
CHRM3 P20309 4/20 0.72
CHRM5 P08912 2/20 0.72
HRH1 P35367 2/20 0.72
ADRB2 P07550 2/20 0.72
CX3CR1 P49238 1/20 0.72
TMEM97 Q5BJF2 1/20 0.72
FFAR4 Q5NUL3 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
LMNA P02545 1/20 0.58
ESR1 P03372 1/20 0.58
CHRM4 P08173 1/20 0.58
MAPT P10636 1/20 0.58
KCNE1 P15382 1/20 0.58
PTGS1 P23219 1/20 0.58
HRH2 P25021 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58

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
SCHEMBL4859538 0.97 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1
Cadaverine Tartrate SCHEMBL2528604 0.89 CHRM2 (0.74) CHRM2CHRM1CHRM3CHRM5HRH1
Cadaverine Tartrate SCHEMBL2528602 0.89 CHRM2 (0.74) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL725535 0.89 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL13175653 0.89 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL14709412 0.89 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL574530 0.88 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL4879639 0.88 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL9111155 0.87 CHRM2 (0.64) CHRM2CHRM1CHRM3CHRM5HRH1
Hydrochloric Acid SCHEMBL4771342 0.87 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1

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-1880718-B1 Pharmaceutical preparation for oral administration with controlled drug release in the small intestine colon and process of prepartion thereof PFLEGER R CHEM FAB (DE) 2011-09-21 EP claimed