SCHEMBL31320004

SCHEMBL31320004

OCC1CN(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
RAD51 Q06609 1/20 0.38
PDE4B Q07343 3/20 0.38
MMP2 P08253 2/20 0.38
ADAMTS5 Q9UNA0 2/20 0.38
TRPA1 O75762 1/20 0.37
ADRB1 P08588 1/20 0.37
NOTUM Q6P988 4/20 0.36
MMP13 P45452 1/20 0.35
KCNH2 Q12809 2/20 0.35
PDE4D Q08499 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
CALML3 P27482 1/20 0.34

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
SCHEMBL31320012 0.88 NOTUM (0.45) CHRM2CHRM5CHRM1CHRM3NOTUM
SCHEMBL31319984 0.81 RAD51 (0.40) CHRM2CHRM5CHRM1CHRM3RAD51
SCHEMBL31319985 0.81 AR (0.43) CHRM2CHRM5CHRM1CHRM3RAD51
SCHEMBL31319962 0.76 PDE4B (0.37) CHRM2CHRM5CHRM1CHRM3RAD51
SCHEMBL21135737 0.75 NOTUM (0.45) NOTUM
SCHEMBL22209952 0.75 TRPA1 (0.38) CHRM2CHRM5CHRM1CHRM3RAD51
SCHEMBL22209797 0.75 TRPA1 (0.40) CHRM2CHRM5CHRM1CHRM3RAD51
SCHEMBL22655565 0.75 NOTUM (0.47) CHRM2CHRM5CHRM1CHRM3MMP2
SCHEMBL22655614 0.75 FFAR4 (0.51) CHRM2CHRM5CHRM1CHRM3NOTUM
SCHEMBL22680294 0.75 FFAR4 (0.51) CHRM2CHRM5CHRM1CHRM3NOTUM

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