SCHEMBL2823394

SCHEMBL2823394

CC(C)(Oc1ccc(F)cc1F)C(=NC1CC2CCC1C2)NC#N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
HSD11B1 P28845 7/20 0.35
SLC6A3 Q01959 1/20 0.34
HSD11B2 P80365 5/20 0.33
GPR6 P46095 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GCK P35557 1/20 0.31
BRD4 O60885 1/20 0.31
P2RX7 Q99572 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL2824621 0.90 HSD11B1 (0.43) SIGMAR1HSD11B1HSD11B2GPR6MEN1
SCHEMBL2824481 0.81 GPR6 (0.33) SIGMAR1GPR6GCKP2RX7
SCHEMBL2823973 0.81 HSD11B1 (0.39) HSD11B1HSD11B2P2RX7
SCHEMBL2824719 0.80 HSD11B1 (0.38) HSD11B1HSD11B2P2RX7
SCHEMBL2823391 0.79 HSD11B1 (0.38) HSD11B1SLC6A3HSD11B2GPR6MEN1
SCHEMBL2823390 0.79 HSD11B1 (0.38) HSD11B1SLC6A3HSD11B2GPR6MEN1
SCHEMBL2826228 0.78 SIGMAR1 (0.41) SIGMAR1HSD11B1HSD11B2P2RX7
SCHEMBL2824913 0.78 HSD11B1 (0.41) SIGMAR1HSD11B1HSD11B2
SCHEMBL2825680 0.77 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL2822936 0.77 HSD11B1 (0.55) 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