SCHEMBL4554855

SCHEMBL4554855

O=C(NCCO)c1ccc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.49
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
HPGDS O60760 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
USP2 O75604 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3486845 0.83 GPR119 (0.69) GPR119LMNAKDM4EHTTSMN1; SMN2
SCHEMBL13505609 0.81 CNR1 (0.47) GPR119CNR1CNR2ITGB3ITGA2B
SCHEMBL18641154 0.81 DRD2 (0.52) CHRNA10CHRNA9DRD2DRD4DRD3
SCHEMBL13506522 0.80 USP2 (0.64) CASRHPGDSGPR119LMNAUSP2
SCHEMBL19835711 0.80 HDAC6 (0.63) CHRNA10CHRNA9LMNAHDAC3HDAC8
SCHEMBL4768603 0.79 TMEM97 (0.57) LMNASMN1; SMN2
SCHEMBL3485750 0.77 GPR119 (0.47) GPR119USP2SMN1; SMN2
SCHEMBL4555361 0.77 GPR119 (0.66) CHRNA10CHRNA9GPR119LMNAUSP2
SCHEMBL19835907 0.77 GAA (0.60) CHRNA10CHRNA9LMNAHDAC3HDAC8
SCHEMBL8506701 0.76 ITGB3 (0.52) CHRNA10CHRNA9HPGDSITGB3ITGA2B

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