SCHEMBL24967976

SCHEMBL24967976

CC1CN(c2ncc(C3CC3)cn2)CCN1C=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.38
SLC6A9 P48067 5/20 0.38
GRM1 Q13255 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
AOC3 Q16853 1/20 0.33
CAMK1D Q8IU85 1/20 0.33

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 0.84 GPR119 (0.40) SLC6A9GRM1
SCHEMBL28612709 0.84 GPR119 (0.40) SLC6A9GRM1
SCHEMBL24968239 0.81 CHRM2 (0.43) SLC6A9
SCHEMBL24968246 0.73 ACACB (0.46) ACACBSLC6A9NR1H2NR1H3
SCHEMBL12259857 0.71 JAK3 (0.42) ACACBCAMK1D
SCHEMBL29165924 0.71 ACACB (0.47) ACACB
SCHEMBL26089874 0.71 ACACB (0.47) ACACB
SCHEMBL29165913 0.71 ACACB (0.47) ACACB
SCHEMBL29165911 0.71 ACACB (0.47) ACACB
SCHEMBL27233861 0.71 ACACB (0.47) ACACB

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
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed