SCHEMBL15069862

SCHEMBL15069862

CC(=O)OC(C)CNC(=O)C(C)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
MAPT P10636 2/20 0.41
GALR3 O60755 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
SLC15A1 P46059 1/20 0.33
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TERT O14746 1/20 0.32
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL18848426 0.84 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18848310 0.79 MTNR1A (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16198128 0.78 CYP2D6 (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16198129 0.78 CYP2D6 (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15069857 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28770252 0.75
SCHEMBL7945378 0.74 CYP2D6 (0.54) MAPTDPP4SLC15A1ANPEPDNPEP
SCHEMBL10106632 0.74 CYP2D6 (0.54) MAPTDPP4SLC15A1ANPEPDNPEP
SCHEMBL7775956 0.74 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2588875 0.74 CYP2D6 (0.54) MAPTDPP4SLC15A1ANPEPDNPEP

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
US-20130165539-A1 ALKALINE-STABLE CHROMATOGRAPHIC RESINS NORTH CAROLINA STATE UNIVERSITY (US) 2013-06-27 US disclosed