SCHEMBL28504355

SCHEMBL28504355

CC(C)(C)OC(=O)N1CCC(Oc2ccc(CI)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.61
CHEK2 O96017 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL23373231 0.89 GPR119 (0.63) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL3342716 0.89 GPR119 (0.66) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL22533161 0.88 GPR119 (0.61) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL3342725 0.88 GPR119 (0.61) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL3344947 0.88 GPR119 (0.61) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL1375821 0.86 GPR119 (0.60) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL1373456 0.86 GPR119 (0.60) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL1376141 0.86 GPR119 (0.60) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL19838571 0.86 GPR119 (0.60) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL8546356 0.86 GPR119 (0.60) GPR119CHEK2ALDH1A1PDE4APDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110936-B Tetrahydroquinoline derivative and preparation method and application thereof 沈阳药科大学 2021-12-07 CN disclosed
CN-112110936-A Tetrahydroquinoline derivative and preparation method and application thereof 沈阳药科大学 2020-12-22 CN disclosed