SCHEMBL4555152

SCHEMBL4555152

N#Cc1cc(N2CCC(C3CCN(C(=O)O)CC3)CC2)ncn1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.70
RIPK1 Q13546 2/20 0.48
KCNH2 Q12809 3/20 0.44
CHEK1 O14757 2/20 0.42
CHEK2 O96017 1/20 0.40
KMO O15229 1/20 0.37
CHRM4 P08173 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
KDR P35968 2/20 0.36
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL27226900 0.88 GPR119 (0.54) GPR119RIPK1CHEK1CHEK2KMO
SCHEMBL25260940 0.83 GPR119 (0.58) GPR119RIPK1CHEK1CHEK2KMO
SCHEMBL30339666 0.83 GPR119 (0.58) GPR119RIPK1CHEK1CHEK2KMO
SCHEMBL3486381 0.83 GPR119 (1.00) GPR119
SCHEMBL4555482 0.80 GPR119 (0.46) GPR119KMOCHRM4LOXL2
SCHEMBL14138631 0.80 GPR119 (0.49) GPR119KCNH2KMOCHRM4LOXL2
SCHEMBL3617657 0.80 GPR119 (0.58) GPR119RIPK1KCNH2CHEK1CHEK2
SCHEMBL3486651 0.79 GPR119 (0.57) GPR119RIPK1KCNH2CHEK1CHEK2
SCHEMBL20337973 0.78 GPR119 (0.53) GPR119RIPK1CHEK1LOXL2
SCHEMBL10316047 0.77 GPR119 (0.55) GPR119RIPK1KCNH2CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121661-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed