SCHEMBL28612709

SCHEMBL28612709

C[C@H]1CN(c2ncc(F)cn2)CCN1C=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
CHRM4 P08173 2/20 0.39
SLC6A9 P48067 3/20 0.37
DRD4 P21917 4/20 0.37
HTR1A P08908 4/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
GRM1 Q13255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL28612712 1.00 GPR119 (0.40) GPR119CHRM4SLC6A9DRD4HTR1A
SCHEMBL24968239 0.85 CHRM2 (0.43) CHRM4SLC6A9
SCHEMBL24967976 0.84 ACACB (0.38) SLC6A9GRM1
SCHEMBL28627183 0.80 CHRM4 (0.38) GPR119CHRM4SLC6A9HTR1ADRD2
SCHEMBL28612099 0.73 HTR1A (0.46) HTR1ADRD2SIGMAR1KDM4ECYP1A2
SCHEMBL23744645 0.72 MEN1 (0.43) GRM1
SCHEMBL23727912 0.70 CHRM4 (0.49) CHRM4SLC6A9GRM1
SCHEMBL26087404 0.70 CHRM4 (0.49) CHRM4SLC6A9GRM1
SCHEMBL20158931 0.70 GPR119 (0.61) GPR119CHRM4SLC6A9GRM1
SCHEMBL23560705 0.70 GPR119 (0.61) GPR119CHRM4SLC6A9GRM1

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
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN disclosed