SCHEMBL14303003

SCHEMBL14303003

CC(=O)N1CC2(CCN(C)CC2)c2cc(Cl)ccc21

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.82
HSD17B3 P37058 6/20 0.44
XIAP P98170 2/20 0.40
BIRC2 Q13490 2/20 0.40
SLC6A3 Q01959 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
SCHEMBL1689610 0.84 NOTUM (0.82) NOTUMHSD17B3XIAPBIRC2
SCHEMBL17771738 0.82 NOTUM (0.52) NOTUMSLC6A3
SCHEMBL1689637 0.81 NOTUM (0.68) NOTUM
SCHEMBL9910961 0.81 NOTUM (0.80) NOTUM
SCHEMBL25357646 0.80 NOTUM (0.61) NOTUM
SCHEMBL1689652 0.79 NOTUM (0.64) NOTUM
SCHEMBL1689647 0.79 NOTUM (0.64) NOTUM
SCHEMBL25358257 0.77 NOTUM (0.61) NOTUMXIAPBIRC2
SCHEMBL12084217 0.76 NOTUM (0.59) NOTUMXIAPBIRC2
SCHEMBL12847641 0.76 NOTUM (0.47) NOTUMSLC6A3

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
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed