SCHEMBL30328647

SCHEMBL30328647

Cc1cnc(C(F)(F)F)nc1N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.50
▸ ACACB O00763 6/20 0.47
▸ EIF2AK4 Q9P2K8 2/20 0.42
▸ SCD5 Q86SK9 1/20 0.40
▸ SPR P35270 4/20 0.39
▸ RORC P51449 1/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PIK3R1 P27986 2/20 0.37
▸ PIK3CA P42336 2/20 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
SCHEMBL30329015 0.89 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4SCD5SPR
SCHEMBL30329237 0.86 CYP11B2 (0.50) CYP11B2ACACBEIF2AK4SCD5SPR
SCHEMBL25163972 0.84 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4SCD5SPR
SCHEMBL30329023 0.83 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4SCD5SPR
SCHEMBL30327913 0.82 ACACB (0.42) CYP11B2ACACBSPRHDAC2HDAC1
SCHEMBL20469058 0.82 CYP11B2 (0.53) CYP11B2ACACBSCD5SPRHDAC2
SCHEMBL30328058 0.80 EIF2AK4 (0.53) CYP11B2ACACBEIF2AK4SCD5RORC
SCHEMBL30328944 0.80 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4SCD5SPR
SCHEMBL30328552 0.80 CYP11B2 (0.50) CYP11B2ACACBEIF2AK4SPRHDAC2
SCHEMBL30327697 0.79 HRH3 (0.44) CYP11B2ACACBSPRPIK3R1PIK3CA

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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