SCHEMBL8818888

SCHEMBL8818888

CC(C)(C)OC(=O)N1CCC(n2nc(C#N)c3cc(Br)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 14/20 0.44
▸ NSD2 O96028 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41

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
SCHEMBL7377903 0.89 GPR119 (0.39) GPR119NSD2FPR2IRAK4USP30
SCHEMBL8820197 0.84 GPR119 (0.46) GPR119NSD2FPR2USP30
SCHEMBL7350588 0.82 GPR119 (0.49) GPR119FPR2USP30
SCHEMBL7344659 0.82 GPR119 (0.53) GPR119FPR2USP30
SCHEMBL31583380 0.82 GPR119 (0.44) GPR119FPR2IRAK4USP30
SCHEMBL15656816 0.82 GPR119 (0.44) GPR119FPR2USP30
SCHEMBL27167475 0.79 CSNK2A1 (0.35) —
SCHEMBL25281552 0.79 SMN1; SMN2 (0.42) —
SCHEMBL31565579 0.79 GPR119 (0.48) GPR119USP30
SCHEMBL29122129 0.78 USP30 (0.45) GPR119FPR2USP30

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
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