SCHEMBL30328958

SCHEMBL30328958

CC(C)(C)OC(=O)N1CC2(CCN(c3cnc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
RET P07949 8/20 0.45
ACACB O00763 3/20 0.43
EIF2AK4 Q9P2K8 1/20 0.43
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
SCD5 Q86SK9 1/20 0.40
SLC6A9 P48067 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GPR183 P32249 1/20 0.39

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
SCHEMBL30328476 0.92 GPR119 (0.49) CYP11B2GPR119RETCKS1BSKP1
SCHEMBL30329263 0.90 CYP11B2 (0.48) CYP11B2GPR119RETACACBEIF2AK4
SCHEMBL30409946 0.90 RET (0.43) CYP11B2GPR119RETEIF2AK4CKS1B
SCHEMBL30898352 0.90 RET (0.43) CYP11B2GPR119RETEIF2AK4CKS1B
SCHEMBL21521592 0.86 CKS1B (0.55) GPR119CKS1BSKP1SKP2SLC6A9
SCHEMBL31296441 0.86 CKS1B (0.55) GPR119CKS1BSKP1SKP2SLC6A9
SCHEMBL30328628 0.84 CYP11B2 (0.53) CYP11B2GPR119RETACACBEIF2AK4
SCHEMBL30327956 0.80 HDAC1 (0.39) CYP11B2GPR119ACACBCKS1BSKP1
SCHEMBL31410466 0.79 GPR119 (0.47) GPR119CKS1BSKP1SKP2SLC6A9
SCHEMBL31410460 0.79 GPR119 (0.47) GPR119CKS1BSKP1SKP2SLC6A9

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