SCHEMBL4554650

SCHEMBL4554650

Cc1cnc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.52
KCNH2 Q12809 2/20 0.52
HCRTR1 O43613 6/20 0.41
HCRTR2 O43614 6/20 0.41
KDM4E B2RXH2 3/20 0.41
RXFP1 Q9HBX9 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38

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
SCHEMBL3487075 0.81 GPR119 (0.72) GPR119CKS1BSKP1SKP2
SCHEMBL14138630 0.80 GPR119 (0.45) GPR119HCRTR1HCRTR2KDM4E
SCHEMBL14138631 0.80 GPR119 (0.49) GPR119KCNH2HCRTR1HCRTR2KDM4E
SCHEMBL3621655 0.77 GPR119 (0.56) GPR119KCNH2KDM4E
SCHEMBL988306 0.76 KCNH2 (0.50) GPR119KCNH2KDM4E
SCHEMBL9885064 0.74 KCNH2 (0.51) GPR119KCNH2KDM4E
SCHEMBL25215605 0.73 ACKR3 (0.38) GPR119KDM4ECKS1BSKP1SKP2
SCHEMBL20804678 0.73 CKS1B (0.54) CKS1BSKP1SKP2
SCHEMBL15219250 0.73 KCNH2 (0.50) GPR119KCNH2CKS1BSKP1SKP2
SCHEMBL10316058 0.72 GPR119 (0.66) GPR119KCNH2KDM4E

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