SCHEMBL28966643

SCHEMBL28966643

CC1CN(c2cnc(C(F)(F)F)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
HDAC1 Q13547 1/20 0.52
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
GPR119 Q8TDV5 2/20 0.50
SLC6A9 P48067 11/20 0.46
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
GRM1 Q13255 1/20 0.41
EIF2AK4 Q9P2K8 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
SCHEMBL28966679 1.00 MAP4K4 (0.52) MAP4K4HDAC1CHRM2CHRM1GPR119
SCHEMBL28966641 1.00 MAP4K4 (0.52) MAP4K4HDAC1CHRM2CHRM1GPR119
SCHEMBL26089377 0.85 CHRM2 (0.57) CHRM2CHRM1SLC6A9CHRM5CHRM3
SCHEMBL21460227 0.84 MAP4K4 (0.54) MAP4K4HDAC1GPR119GRM1
SCHEMBL21484275 0.84 MAP4K4 (0.59) MAP4K4HDAC1GPR119GRM1EIF2AK4
SCHEMBL23560874 0.84 MAP4K4 (0.54) MAP4K4HDAC1GPR119GRM1
SCHEMBL31105042 0.84 MAP4K4 (0.54) MAP4K4HDAC1GPR119GRM1
SCHEMBL21460229 0.84 MAP4K4 (0.54) MAP4K4HDAC1GPR119GRM1
SCHEMBL31104870 0.84 MAP4K4 (0.59) MAP4K4HDAC1GPR119GRM1EIF2AK4
SCHEMBL21483223 0.84 MAP4K4 (0.59) MAP4K4HDAC1GPR119GRM1EIF2AK4

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
CN-115745971-B PARP7 inhibitor and application thereof 北京华森英诺生物科技有限公司 2024-07-30 CN disclosed
CN-115745971-A PARP7 inhibitor and application thereof 重庆华森制药股份有限公司 2023-03-07 CN disclosed