SCHEMBL10691716

SCHEMBL10691716

CC(C)(C)OC(=O)CNN1C(=O)CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.45
POLB P06746 1/20 0.41
CCKBR P32239 3/20 0.41
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7795540 0.81 L3MBTL1 (0.44) POLBTHRBL3MBTL1
SCHEMBL29035758 0.79 POLB (0.54) POLBCCKBRTHRB
SCHEMBL5638613 0.74 L3MBTL1 (0.49) POLBL3MBTL1
SCHEMBL29037242 0.72 PTPRC (0.50) L3MBTL1
SCHEMBL11259755 0.72 NAMPT (0.45)
SCHEMBL10600737 0.72 NOTUM (0.46) AVPR2POLBL3MBTL1
SCHEMBL30987423 0.70 DRD2 (0.52) POLBTHRB
SCHEMBL8057095 0.69 MAPT (0.47) CCKBR
SCHEMBL25278999 0.68 CHRM2 (0.55)
SCHEMBL29452150 0.68 CHRM2 (0.55)

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-4785089-A Novel sulfonic acid esters and their preparation CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed