SCHEMBL30327980

SCHEMBL30327980

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cnc(Cl)c(C(F)(F)F)n1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.47
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ ACACB O00763 5/20 0.42
▸ EIF2AK4 Q9P2K8 2/20 0.42
▸ RET P07949 6/20 0.42
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 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
SCHEMBL30329202 0.90 CYP11B2 (0.48) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL30327800 0.89 CYP11B2 (0.48) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL30329274 0.82 CYP11B2 (0.45) CYP11B2ACACBEIF2AK4RETPOLB
SCHEMBL25164359 0.82 CYP11B2 (0.47) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL30329263 0.81 CYP11B2 (0.48) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL30328050 0.81 CYP11B2 (0.55) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL25164474 0.81 CYP11B2 (0.55) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL30327857 0.81 CYP11B2 (0.48) CYP11B2CKS1BSKP1SKP2ACACB
SCHEMBL30328034 0.81 CYP11B2 (0.43) CYP11B2ACACBEIF2AK4RETPOLB
SCHEMBL30328179 0.80 CYP11B2 (0.47) CYP11B2CKS1BSKP1SKP2ACACB

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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