SCHEMBL2827245

SCHEMBL2827245

CC1(C)/C(=N/C#N)N(C2C3CC4CC2CC(C(N)=O)(C4)C3)CC1COc1ccc(-n2ccnc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.77
HSD11B2 P80365 10/20 0.77
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2827249 1.00 HSD11B1 (0.77) HSD11B1HSD11B2LMNAMAPK1CYP3A4
SCHEMBL328856 0.87 HSD11B1 (1.00) HSD11B1HSD11B2LMNACYP3A4CYP2D6
SCHEMBL2823382 0.87 HSD11B1 (0.77) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2823378 0.87 HSD11B1 (0.77) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2824733 0.81 HSD11B1 (0.81) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2824732 0.81 HSD11B1 (0.81) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328901 0.79 HSD11B1 (0.84) HSD11B1HSD11B2LMNAMAPK1CYP3A4
SCHEMBL2823091 0.77 HSD11B1 (0.68) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2823094 0.77 HSD11B1 (0.68) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328841 0.74 HSD11B1 (1.00) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed