SCHEMBL8820197

SCHEMBL8820197

COc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.46
▸ USP30 Q70CQ3 1/20 0.44
▸ FPR2 P25090 1/20 0.43
▸ BACE1 P56817 2/20 0.42
▸ CTSD P07339 1/20 0.42
▸ CTSE P14091 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KRAS P01116 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ STS P08842 1/20 0.39

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
SCHEMBL15656816 0.89 GPR119 (0.44) GPR119USP30FPR2ALDH1A1KRAS
SCHEMBL7350588 0.86 GPR119 (0.49) GPR119USP30FPR2BACE1ALDH1A1
SCHEMBL8818127 0.85 GSK3B (0.37) KRASCYP3A4HTT
SCHEMBL7344659 0.84 GPR119 (0.53) GPR119USP30FPR2CYP3A4NR3C1
SCHEMBL8818888 0.84 GPR119 (0.44) GPR119USP30FPR2NSD2
SCHEMBL31583380 0.84 GPR119 (0.44) GPR119USP30FPR2BACE1KRAS
SCHEMBL29121705 0.81 BTK (0.45) GPR119USP30FPR2KRAS
SCHEMBL30676388 0.81 BTK (0.45) GPR119USP30FPR2KRAS
SCHEMBL29121565 0.81 BTK (0.45) GPR119USP30FPR2KRAS
SCHEMBL30676570 0.81 BTK (0.45) GPR119USP30FPR2KRAS

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
WO-1997049698-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 — — WO disclosed
Send feedback