SCHEMBL6486928

SCHEMBL6486928

CC(C)(C)OC(=O)N1CCN(CCCc2ccc(C#N)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
ACKR3 P25106 4/20 0.43
SIGMAR1 Q99720 3/20 0.42
HRH1 P35367 2/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
OPRM1 P35372 1/20 0.42
TLR8 Q9NR97 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX2 P34913 2/20 0.40
GRM5 P41594 1/20 0.39
DTYMK P23919 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
SCHEMBL27213590 0.86 GPR119 (0.48) GPR119ACKR3CHRM2CHRM4CHRM1
SCHEMBL5232122 0.79 GPR119 (0.41) GPR119ACKR3HRH1TLR8CHRM2
SCHEMBL5228089 0.77 SMN1; SMN2 (0.53) ACKR3SIGMAR1HRH1TLR8CHRM2
SCHEMBL24963003 0.76 GPR119 (0.53) GPR119
SCHEMBL6894349 0.75 GPR119 (0.43) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL7245807 0.74 HRH2 (0.71) GPR119HRH1HRH2HRH3EPHX2
SCHEMBL7971782 0.74 SIGMAR1 (0.69) ACKR3SIGMAR1HRH1HTR1ADRD4
SCHEMBL20873847 0.74 USP2 (0.53) ACKR3SIGMAR1TLR8CHRM2CHRM4
SCHEMBL11351472 0.73 MAPT (0.44) GPR119ACKR3TLR8CHRM2CHRM4
SCHEMBL9743736 0.73 ACKR3 (0.48) GPR119ACKR3SIGMAR1TLR8CHRM2

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-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed