SCHEMBL31320014

SCHEMBL31320014

C[S+]([O-])[C@H]1CCN(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 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
▸ DPP4 P27487 3/20 0.38
▸ RAD51 Q06609 1/20 0.36
▸ AR P10275 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ ACACB O00763 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
SCHEMBL31320008 0.76 DPP4 (0.45) NOTUMCHRM2CHRM5CHRM1CHRM3
SCHEMBL31320005 0.76 AR (0.59) NOTUMAR
SCHEMBL24680813 0.75 NOTUM (0.47) NOTUMDPP4
SCHEMBL29914613 0.75 NOTUM (0.47) NOTUMDPP4
SCHEMBL31320003 0.75 NOTUM (0.42) NOTUMCHRM2CHRM5CHRM1CHRM3
SCHEMBL27559729 0.74 GAA (0.47) NOTUMDPP4
SCHEMBL8108460 0.73 BCL2A1 (0.55) NOTUMCHRM2CHRM5CHRM1CHRM3
SCHEMBL31319987 0.73 NOTUM (0.43) NOTUMCHRM2CHRM5CHRM1CHRM3
SCHEMBL31320012 0.72 NOTUM (0.45) NOTUMCHRM2CHRM5CHRM1CHRM3
SCHEMBL4168468 0.72 LMNA (0.44) NOTUMDPP4RAD51MMP2ADAMTS5

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
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