SCHEMBL19336712

SCHEMBL19336712

C[S+]([O-])c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.47
▸ SCN9A Q15858 1/20 0.44
▸ GPR119 Q8TDV5 13/20 0.43
▸ CSF1R P07333 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CHEK2 O96017 1/20 0.38

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
SCHEMBL13642453 0.88 USP30 (0.49) USP30SCN9AGPR119CSF1RKDR
SCHEMBL2146881 0.85 USP30 (0.47) USP30SCN9AGPR119CSF1RKDR
SCHEMBL16520031 0.85 GPR119 (0.53) USP30SCN9AGPR119
SCHEMBL16520043 0.84 USP30 (0.47) USP30SCN9AGPR119CSF1RKDR
SCHEMBL19336722 0.83 SCN9A (0.48) SCN9AGPR119CSF1RKDRCHEK2
SCHEMBL16688916 0.79 USP30 (0.50) USP30GPR119CSF1RAAK1FAAH
SCHEMBL23122024 0.79 USP30 (0.49) USP30GPR119CSF1RAAK1
SCHEMBL18825434 0.79 USP30 (0.49) USP30SCN9AGPR119CSF1RAAK1
SCHEMBL23329734 0.78 USP30 (0.50) USP30GPR119AAK1FAAH
SCHEMBL16520143 0.77 USP30 (0.48) USP30GPR119CSF1RAAK1

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
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 — — EP disclosed
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