SCHEMBL6004805

SCHEMBL6004805

CC1(C)CC2CC(C)(CN2C(=O)c2ccc3nc(N)[nH]c3c2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
AVPR1A P37288 14/20 0.54
AVPR2 P30518 11/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3455832 0.92 HSD11B1 (0.56) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL5967739 0.89 LMNA (0.60) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL5967754 0.81 ALDH1A1 (0.58) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL3454816 0.81 LMNA (0.63) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL3455659 0.80 LMNA (0.60) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL1306648 0.80 HSD11B1 (0.68) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL1308282 0.78 LMNA (0.61) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL2895100 0.78 ALDH1A1 (0.73) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL3454763 0.77 LMNA (0.58) HSD11B1LMNAALDH1A1MEN1HTT
SCHEMBL1307429 0.76 LMNA (0.57) HSD11B1LMNAALDH1A1MEN1HTT

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-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed