SCHEMBL18791107

SCHEMBL18791107

CCC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.49
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAP4K4 O95819 1/20 0.41
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40

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
SCHEMBL3486592 0.86 GPR119 (0.67) GPR119CKS1BSKP1SKP2
SCHEMBL20468831 0.77 CYP11B2 (0.55) GPR119
SCHEMBL23560770 0.77 CKS1B (0.57) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL29029935 0.76 GPR119 (0.56) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL19602840 0.76 CKS1B (0.54) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL30395474 0.76 GPR119 (0.56) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL1432688 0.76 CKS1B (0.56) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL1432444 0.76 CKS1B (0.56) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL30546217 0.75 GPR119 (0.54) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL24369743 0.75 CKS1B (0.56) GPR119CKS1BSKP1SKP2MAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 WO disclosed