SCHEMBL2823635

SCHEMBL2823635

CC(C)(Oc1ccc(Cl)cc1)C(=NC#N)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.45
HSD11B2 P80365 12/20 0.45
EPHX2 P34913 1/20 0.41

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
SCHEMBL2823628 1.00 HSD11B1 (0.45) HSD11B1HSD11B2EPHX2
SCHEMBL2824811 0.88 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2824814 0.88 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2823380 0.83 HSD11B1 (0.49) HSD11B1HSD11B2EPHX2
SCHEMBL2823388 0.83 HSD11B1 (0.49) HSD11B1HSD11B2EPHX2
SCHEMBL2826086 0.83 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL2826088 0.83 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL2827326 0.82 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2827328 0.82 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2834255 0.81 HSD11B1 (0.48) HSD11B1HSD11B2

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed