SCHEMBL30328552

SCHEMBL30328552

Cc1nc(C(F)(F)F)ncc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.50
▸ ACACB O00763 5/20 0.45
▸ SPR P35270 2/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ RET P07949 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL30329237 0.92 CYP11B2 (0.50) CYP11B2ACACBSPREIF2AK4HDAC1
SCHEMBL30328268 0.89 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4RETHDAC1
SCHEMBL30328924 0.89 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4RETHDAC1
SCHEMBL30327774 0.88 CYP11B2 (0.48) CYP11B2ACACBEIF2AK4RETHDAC1
SCHEMBL30328472 0.84 CYP11B2 (0.49) CYP11B2ACACBEIF2AK4RETHDAC1
SCHEMBL30327637 0.82 CYP11B2 (0.48) CYP11B2ACACBRETHDAC1HDAC2
SCHEMBL30329023 0.81 CYP11B2 (0.49) CYP11B2ACACBSPREIF2AK4RET
SCHEMBL30328382 0.80 EIF2AK4 (0.51) CYP11B2ACACBEIF2AK4RETSYK
SCHEMBL30327800 0.80 CYP11B2 (0.48) CYP11B2ACACBEIF2AK4RETHDAC1
SCHEMBL30328647 0.80 CYP11B2 (0.50) CYP11B2ACACBSPREIF2AK4HDAC1

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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