SCHEMBL7377903

SCHEMBL7377903

CC(C)(C)OC(=O)N1CCC(n2nc(C#N)c3cc(Br)ccc32)CC1.NC(=O)c1nn(C2CCNCC2)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL8818888 0.89 GPR119 (0.44) GPR119IRAK4NSD2FPR2USP30
SCHEMBL7350000 0.80 CFD (0.37) IRAK4JAK2JAK1FPR2
SCHEMBL7350588 0.79 GPR119 (0.49) GPR119FPR2USP30
SCHEMBL7369656 0.76 GSK3B (0.38) —
SCHEMBL29122756 0.75 USP30 (0.45) GPR119FPR2USP30
SCHEMBL29122133 0.75 USP30 (0.45) GPR119FPR2USP30
SCHEMBL29122129 0.75 USP30 (0.45) GPR119FPR2USP30
SCHEMBL8820197 0.75 GPR119 (0.46) GPR119NSD2FPR2USP30
SCHEMBL7336346 0.74 GPR119 (0.64) GPR119FPR2USP30
SCHEMBL29121680 0.74 USP30 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912555-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1997049699-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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