SCHEMBL4555141

SCHEMBL4555141

CSc1cc(N2CCC(C3CCN(C(=O)O)CC3)CC2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.47
KMO O15229 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.37
CHRM4 P08173 2/20 0.37
LRRK2 Q5S007 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL3487611 0.83 GPR119 (0.69) GPR119
SCHEMBL14138631 0.83 GPR119 (0.49) GPR119KMOLOXL2CHRM4
SCHEMBL4555482 0.80 GPR119 (0.46) GPR119KMOLOXL2CHRM4
SCHEMBL4555152 0.77 GPR119 (0.70) GPR119KMOLOXL2CHRM4
SCHEMBL4555359 0.72 CHRM4 (0.46) GPR119LOXL2CHRM4
SCHEMBL4554650 0.71 GPR119 (0.52) GPR119
SCHEMBL20445971 0.69 KMO (0.44) KMOLOXL2
SCHEMBL20165804 0.69 RIPK1 (0.68)
SCHEMBL20165803 0.69 RIPK1 (0.68)
SCHEMBL3486611 0.69 GPR119 (0.68) GPR119

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