SCHEMBL9259719

SCHEMBL9259719

COC(=O)c1cc(S(C)(=O)=O)c(N2CCC(NC(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
EPHX2 P34913 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
NAMPT P43490 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
F10 P00742 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CTSK P43235 2/20 0.39
KDM4D Q6B0I6 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
SCHEMBL9183209 0.90 CKS1B (0.41) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL9177701 0.89 SUV39H2 (0.42) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL9179571 0.89 DRD2 (0.45) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL9183344 0.88 OPRM1 (0.40) CKS1BSKP1SKP2EPHX2DRD2
SCHEMBL9177394 0.88 DRD2 (0.45) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL9184557 0.87 F10 (0.41) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL9183321 0.86 SUV39H2 (0.44) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL7837181 0.85 SLC9A1 (0.53)
SCHEMBL9178504 0.84 KDM4D (0.45) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL9181605 0.84 KDM4E (0.47) CKS1BSKP1SKP2DRD2DRD3

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
US-5461066-A 4-amino-1-piperidylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-24 US disclosed