SCHEMBL31319984

SCHEMBL31319984

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.40
NOTUM Q6P988 4/20 0.39
PDE4B Q07343 3/20 0.38
MMP2 P08253 2/20 0.38
ADAMTS5 Q9UNA0 2/20 0.38
USP14 P54578 1/20 0.37
AR P10275 1/20 0.37
PDE4D Q08499 1/20 0.37
CDK1 P06493 2/20 0.37
CDK2 P24941 2/20 0.37
ADRB1 P08588 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MMP13 P45452 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
SCHEMBL31319962 0.90 PDE4B (0.37) RAD51NOTUMPDE4BMMP2ADAMTS5
SCHEMBL31319985 0.89 AR (0.43) RAD51NOTUMPDE4BMMP2ADAMTS5
SCHEMBL31320004 0.81 CHRM2 (0.40) RAD51NOTUMPDE4BMMP2ADAMTS5
SCHEMBL31320005 0.80 AR (0.59) NOTUMARCDK1CDK2
SCHEMBL3138469 0.76 CHRNB2 (0.47) RAD51PDE4BADRB1
SCHEMBL31319975 0.76 PTGS2 (0.39) RAD51MMP2ADAMTS5
SCHEMBL22209797 0.76 TRPA1 (0.40) RAD51NOTUMPDE4BMMP2ADAMTS5
SCHEMBL22209952 0.76 TRPA1 (0.38) RAD51NOTUMPDE4BMMP2ADAMTS5
SCHEMBL31112046 0.76 CHRM2 (0.46) RAD51NOTUMPDE4BMMP2ADAMTS5
SCHEMBL17514156 0.76 ADRB1 (0.47) RAD51MMP2ADAMTS5ADRB1

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