SCHEMBL30328998

SCHEMBL30328998

Cc1cc(N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc(C(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.46
▸ ACACB O00763 6/20 0.45
▸ GPR119 Q8TDV5 2/20 0.43
▸ SCD5 Q86SK9 1/20 0.42
▸ HDAC2 Q92769 2/20 0.40
▸ RORC P51449 1/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ EIF2AK4 Q9P2K8 2/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ SPR P35270 1/20 0.37

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
SCHEMBL30327758 0.89 CYP11B2 (0.45) CYP11B2ACACBSCD5HDAC2RORC
SCHEMBL30328270 0.84 GPR119 (0.46) CYP11B2ACACBGPR119SCD5HDAC2
SCHEMBL30327698 0.84 CYP11B2 (0.46) CYP11B2ACACBGPR119SCD5HDAC2
SCHEMBL20469052 0.81 CYP11B2 (0.51) CYP11B2ACACBGPR119SCD5
SCHEMBL20468832 0.80 CYP11B2 (0.52) CYP11B2ACACBGPR119SCD5HDAC2
SCHEMBL30327616 0.78 CYP11B2 (0.46) CYP11B2ACACBGPR119SCD5HDAC2
SCHEMBL20468958 0.78 CYP11B2 (0.48) CYP11B2ACACBGPR119SCD5EIF2AK4
SCHEMBL21711129 0.77 CYP11B2 (0.53) CYP11B2ACACBSCD5HDAC2PARP1
SCHEMBL20469135 0.77 CYP11B2 (0.53) CYP11B2ACACBSCD5HDAC2PARP1
SCHEMBL30328115 0.77 CYP11B2 (0.51) CYP11B2ACACBGPR119SCD5EIF2AK4

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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