SCHEMBL31320008

SCHEMBL31320008

N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
NOTUM Q6P988 7/20 0.44
AR P10275 1/20 0.43
KHK P50053 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
RAD51 Q06609 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EIF2AK4 Q9P2K8 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
SCHEMBL4168468 0.90 LMNA (0.44) DPP4NOTUMSUV39H2RAD51
SCHEMBL14275554 0.85 NOTUM (0.59) DPP4NOTUMARKHKHRH4
SCHEMBL1351656 0.85 KHK (0.45) DPP4NOTUMKHKHRH4CCNC
SCHEMBL1351659 0.85 KHK (0.45) DPP4NOTUMKHKHRH4CCNC
SCHEMBL31320005 0.81 AR (0.59) NOTUMAR
SCHEMBL1352068 0.81 KHK (0.48) DPP4NOTUMKHKHRH4CCNC
SCHEMBL1352071 0.81 KHK (0.48) DPP4NOTUMKHKHRH4CCNC
SCHEMBL31669276 0.81 KHK (0.48) DPP4NOTUMARKHKHRH4
SCHEMBL31669236 0.79 AR (0.47) DPP4NOTUMARKHKHRH4
SCHEMBL22186378 0.79 NOTUM (0.50) DPP4NOTUMKHKHRH4CCNC

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-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed