SCHEMBL30328115

SCHEMBL30328115

Cc1cnc(N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.51
▸ ACACB O00763 5/20 0.48
▸ SCD5 Q86SK9 1/20 0.44
▸ RET P07949 6/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ SPR P35270 1/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42

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
SCHEMBL30328510 0.81 SMN1; SMN2 (0.53) CYP11B2RETMEN1MAPTKMT2A
SCHEMBL14614610 0.81 CKS1B (0.59) RETMEN1MAPTTSHRKMT2A
SCHEMBL20468949 0.81 CYP11B2 (0.53) CYP11B2ACACBSCD5RETMEN1
SCHEMBL20468957 0.81 ACACB (0.52) CYP11B2ACACBSCD5RETTSHR
SCHEMBL30912263 0.80 RET (0.46) CYP11B2ACACBRETTSHRGPR119
SCHEMBL17925041 0.80 GPR119 (0.52) CYP11B2ACACBRETGPR119ALDH1A1
SCHEMBL20468943 0.80 CYP11B2 (0.53) CYP11B2ACACBSCD5RETTSHR
SCHEMBL20468832 0.80 CYP11B2 (0.52) CYP11B2ACACBSCD5GPR119SPR
SCHEMBL20469138 0.79 GPR119 (0.60) CYP11B2ACACBSCD5RETTSHR
SCHEMBL23108168 0.79 GPR119 (0.58) CYP11B2SCD5MEN1MAPTTSHR

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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