SCHEMBL16236306

SCHEMBL16236306

CC(C)(C)OC(=O)N1CCN(c2ncccn2)C(C)(C)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.58
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
ACHE P22303 2/20 0.46
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
DTYMK P23919 1/20 0.42
CYP11B2 P19099 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GRM5 P41594 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 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
SCHEMBL12740840 0.88 GPR119 (0.65) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL12740856 0.86 GPR119 (0.60) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL20129625 0.85 GPR119 (0.57) GPR119POLBACHECKS1BSKP1
SCHEMBL23108171 0.81 GPR119 (0.52) GPR119POLBMAPTACHECYP11B2
SCHEMBL38661127 0.81 GPR119 (0.49) GPR119POLBMAPTCYP11B2
SCHEMBL14892711 0.79 GPR119 (0.53) GPR119POLBMAPTACHEDTYMK
SCHEMBL24349618 0.78 GPR119 (0.52) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL12964579 0.77 GPR119 (0.77) GPR119POLBMAPTACHECKS1B
SCHEMBL24349617 0.77 GPR119 (0.61) GPR119
SCHEMBL24349229 0.77 GPR119 (0.52) GPR119POLBMAPTCKS1BSKP1

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
WO-2014184248-A2 TRPA1 ANTAGONIST COMPOUNDS Acturum Life Science AB (SE) 2014-11-20 WO disclosed