SCHEMBL8916432

SCHEMBL8916432

C#CC(C)(C)NC1CN(C(=O)OC(C)(C)C)CCN1c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.51
USP30 Q70CQ3 3/20 0.42
GRM1 Q13255 3/20 0.42
GRM5 P41594 2/20 0.42
POLB P06746 1/20 0.41
PRKCQ Q04759 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL8916797 0.85 GPR119 (0.52) GPR119USP30GRM1GRM5POLB
SCHEMBL8916055 0.84 GPR119 (0.54) GPR119USP30GRM1GRM5POLB
SCHEMBL8916072 0.81 GPR119 (0.52) GPR119USP30GRM1GRM5POLB
SCHEMBL8915717 0.80 GPR119 (0.51) GPR119USP30GRM1GRM5POLB
SCHEMBL20129618 0.80 GPR119 (0.60) GPR119GRM1GRM5POLBSMARCA2
SCHEMBL20142792 0.80 GPR119 (0.60) GPR119GRM1GRM5POLBSMARCA2
SCHEMBL20129601 0.80 GPR119 (0.60) GPR119GRM1GRM5POLBSMARCA2
SCHEMBL4826169 0.79 GPR119 (0.58) GPR119USP30GRM1GRM5POLB
SCHEMBL21360322 0.77 GPR119 (0.56) GPR119USP30GRM1GRM5POLB
SCHEMBL8917888 0.76 GPR119 (0.55) 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