SCHEMBL29229812

SCHEMBL29229812

Cc1nnc(CC(NC(=O)O)c2cccc(OC(F)C(F)CCF)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 11/20 0.49
▸ ELANE P08246 5/20 0.37
▸ CTSA P10619 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL29229817 0.88 GPR88 (0.46) GPR88ELANECTSAMEN1ALDH1A1
SCHEMBL29229794 0.86 GPR88 (0.37) GPR88ELANECTSA
SCHEMBL23243849 0.80 GPR88 (0.47) GPR88ELANECTSAKMT2A
SCHEMBL23243863 0.78 GPR88 (0.46) GPR88ALDH1A1
SCHEMBL23243885 0.77 CTSA (0.45) GPR88ELANECTSA
SCHEMBL23243868 0.76 CTSA (0.48) GPR88ELANECTSA
SCHEMBL29229800 0.76 CTSA (0.39) CTSA
SCHEMBL23243870 0.75 CTSA (0.49) GPR88ELANECTSA
SCHEMBL29229805 0.75 CTSA (0.38) CTSA
SCHEMBL23243864 0.74 CTSA (0.47) GPR88ELANECTSA

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-113272285-B Oxadiazole-containing compound and pharmaceutical composition containing same 爱思开生物制药株式会社 2024-06-07 — — CN disclosed
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