SCHEMBL31319987

SCHEMBL31319987

CS(=O)(=O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.43
▸ RORC P51449 2/20 0.40
▸ PROKR1 Q8TCW9 2/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37

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
SCHEMBL31319975 0.89 PTGS2 (0.39) RORCPROKR1FPR2RAD51NR1H2
SCHEMBL31320023 0.86 NOTUM (0.43) NOTUMRORCRAD51CHRM2CHRM5
SCHEMBL31319968 0.86 NOTUM (0.43) NOTUMRORCRAD51CHRM2CHRM5
SCHEMBL31319986 0.86 NOTUM (0.43) NOTUMRORCRAD51CHRM2CHRM5
SCHEMBL24681271 0.80 NOTUM (0.53) NOTUMRORCNPY5R
SCHEMBL29914409 0.80 NOTUM (0.53) NOTUMRORCNPY5R
SCHEMBL29914459 0.80 NPY5R (0.48) NOTUMRORCFPR2NPY5R
SCHEMBL24680782 0.80 NPY5R (0.48) NOTUMRORCFPR2NPY5R
SCHEMBL31320005 0.76 AR (0.59) NOTUM
SCHEMBL31320008 0.76 DPP4 (0.45) NOTUMRAD51CHRM2CHRM5CHRM1

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
Send feedback