SCHEMBL8916797

SCHEMBL8916797

CCC(C)(C)NC1CN(C(=O)OC(C)(C)C)CCN1c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.52
USP30 Q70CQ3 2/20 0.43
GRM1 Q13255 3/20 0.42
GRM5 P41594 2/20 0.42
POLB P06746 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ACHE P22303 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MMP13 P45452 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL8916072 0.86 GPR119 (0.52) GPR119USP30GRM1GRM5POLB
SCHEMBL8916432 0.85 GPR119 (0.51) GPR119USP30GRM1GRM5POLB
SCHEMBL8915717 0.85 GPR119 (0.51) GPR119USP30GRM1GRM5POLB
SCHEMBL8916055 0.85 GPR119 (0.54) GPR119USP30GRM1GRM5POLB
SCHEMBL20142792 0.81 GPR119 (0.60) GPR119GRM1GRM5POLBSMARCA2
SCHEMBL20129601 0.81 GPR119 (0.60) GPR119GRM1GRM5POLBSMARCA2
SCHEMBL20129618 0.81 GPR119 (0.60) GPR119GRM1GRM5POLBSMARCA2
SCHEMBL21360322 0.80 GPR119 (0.56) GPR119USP30GRM1GRM5POLB
SCHEMBL4826169 0.80 GPR119 (0.58) GPR119USP30GRM1GRM5POLB
SCHEMBL8410237 0.78 GPR119 (0.54) GPR119USP30GRM1GRM5POLB

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-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed