SCHEMBL11021099

SCHEMBL11021099

NC(=O)C(CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRM3 P20309 4/20 0.51
KCNH2 Q12809 3/20 0.51
CHRM2 P08172 2/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HTT P42858 1/20 0.47
KCNN4 O15554 5/20 0.46
OPRM1 P35372 3/20 0.44
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
OPRK1 P41145 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PGR P06401 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL6384616 0.82 CYP1A2 (0.48) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL10685798 0.81 CHRM3 (0.50) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL4030430 0.81 MAPT (0.55) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL3350095 0.81 CHRM3 (0.50) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL8071145 0.81 CHRM3 (0.50) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL1492533 0.79 SMN1; SMN2 (0.52) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL10524246 0.79 CHRM3 (0.57) MAPTKMT2ACHRM3KCNH2CHRM2
Hydrochloric Acid SCHEMBL5252883 0.79 MAPT (0.53) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL3994296 0.78 MAPT (0.57) MAPTKMT2ACHRM3KCNH2CHRM2
SCHEMBL4153935 0.78 CHRM3 (0.55) MAPTKMT2ACHRM3KCNH2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0040896-B1 SYNTHESIS OF AMIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-25 EP disclosed
EP-0040896-A2 Synthesis of amides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP disclosed