SCHEMBL30328216

SCHEMBL30328216

CC(C)(C)OC(=O)N1CC2(CCCN(c3ccncc3C(F)(F)F)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 2/20 0.51
▸ GPR119 Q8TDV5 6/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ CYP3A4 P08684 9/20 0.43
▸ HIF1A Q16665 5/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ TSHR P16473 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL30329030 0.94 EIF2AK4 (0.47) EIF2AK4GPR119CYP11B2CYP3A4HIF1A
SCHEMBL30328874 0.92 EIF2AK4 (0.51) EIF2AK4GPR119CYP11B2CYP3A4HIF1A
SCHEMBL485007 0.87 CYP11B2 (0.59) GPR119CYP11B2CYP3A4HIF1ACYP2C19
SCHEMBL2423408 0.83 GPR119 (0.55) GPR119ALDH1A1
SCHEMBL13156801 0.80 CYP11B2 (0.52) EIF2AK4CYP11B2CYP3A4HIF1ACYP2C19
SCHEMBL30328864 0.80 EIF2AK4 (0.51) EIF2AK4GPR119CYP11B2CYP3A4HIF1A
SCHEMBL25223238 0.77 CYP11B2 (0.55) EIF2AK4GPR119CYP11B2CYP3A4HIF1A
SCHEMBL29418501 0.77 CYP11B2 (0.55) EIF2AK4GPR119CYP11B2CYP3A4HIF1A
SCHEMBL30599714 0.77 CYP11B2 (0.55) EIF2AK4GPR119CYP11B2CYP3A4HIF1A
SCHEMBL30328838 0.77 EIF2AK4 (0.54) EIF2AK4GPR119CYP11B2CYP3A4HIF1A

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-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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