SCHEMBL2822509

SCHEMBL2822509

COc1ccccc1OC(C)(C)C(=NC1C2CC3CC1CC(S(N)(=O)=O)(C3)C2)NC#N

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.52
HSD11B2 P80365 11/20 0.52
P2RX7 Q99572 3/20 0.40
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2827183 0.92 HSD11B1 (0.63) HSD11B1HSD11B2P2RX7
SCHEMBL2827251 0.92 HSD11B1 (0.51) HSD11B1HSD11B2P2RX7SIGMAR1
SCHEMBL2823618 0.91 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2827232 0.90 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2827114 0.90 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2824715 0.90 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2827664 0.86 HSD11B1 (0.51) HSD11B1HSD11B2P2RX7SIGMAR1
SCHEMBL2823565 0.85 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2825188 0.85 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2824487 0.85 HSD11B1 (0.53) HSD11B1HSD11B2SIGMAR1

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