SCHEMBL6496701

SCHEMBL6496701

COc1cccc2c1OC(OC)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
DRD2 P14416 6/20 0.45
DRD3 P35462 6/20 0.45
DRD4 P21917 4/20 0.43
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PIN1 Q13526 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL6627932 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL4224918 0.83 HTR7 (0.43) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL9379902 0.83 MTNR1A (0.45) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL7111930 0.82 DRD2 (0.46) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL9040773 0.82 MTNR1A (0.43) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL13533358 0.78 DRD2 (0.43) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL7117287 0.78 L3MBTL1 (0.45) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL7109070 0.78 L3MBTL1 (0.45) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL6626738 0.77 KDM4E (0.48) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL7399813 0.77 PRKAB2 (0.48) CHRM2CHRM1CHRM3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841183-B2 Process for producing aspartame derivatives, process for purifying aspartame derivatives, production intermediates, and process for producing production intermediates AJINOMOTO CO., INC. (JP) 2005-01-11 US disclosed
US-20020127320-A1 Process for producing aspartame derivatives, process for purifying aspartame derivatives, production intermediates, and process for producing production intermediates AJINOMOTO CO., INC. (JP) 2002-09-12 US disclosed
EP-1227104-A1 PROCESSES FOR PRODUCING AND PURIFYING ASPARTAME DERIVATIVES AND PROCESS FOR PRODUCING PRODUCTION INTERMEDIATES Ajinomoto Co., Inc. (JP) 2002-07-31 EP disclosed