SCHEMBL31319962

SCHEMBL31319962

O[C@@H]1CN(c2ccc(Cl)c(F)c2)C[C@H]1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.37
RAD51 Q06609 1/20 0.37
PDE4D Q08499 2/20 0.37
NOTUM Q6P988 4/20 0.35
MMP2 P08253 2/20 0.35
ADAMTS5 Q9UNA0 2/20 0.35
USP14 P54578 1/20 0.35
AR P10275 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MMP13 P45452 1/20 0.33
ADRB1 P08588 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL31319984 0.90 RAD51 (0.40) PDE4BRAD51PDE4DNOTUMMMP2
SCHEMBL31319985 0.83 AR (0.43) PDE4BRAD51PDE4DNOTUMMMP2
SCHEMBL31320004 0.76 CHRM2 (0.40) PDE4BRAD51PDE4DNOTUMMMP2
SCHEMBL31320005 0.75 AR (0.59) NOTUMAR
SCHEMBL31320008 0.72 DPP4 (0.45) RAD51NOTUMARCHRM2CHRM5
SCHEMBL4168468 0.71 LMNA (0.44) RAD51NOTUMMMP2ADAMTS5ADRB1
SCHEMBL3138469 0.71 CHRNB2 (0.47) PDE4BRAD51ADRB1
SCHEMBL22209952 0.71 TRPA1 (0.38) PDE4BRAD51NOTUMMMP2ADAMTS5
SCHEMBL22209797 0.71 TRPA1 (0.40) PDE4BRAD51PDE4DNOTUMMMP2
SCHEMBL31319975 0.71 PTGS2 (0.39) RAD51MMP2ADAMTS5TRPA1

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