SCHEMBL12809778

SCHEMBL12809778

CC(C)(C)n1ncc(C(=O)N[C@H]2CCC3CC4CC(C3)C2C4)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HSD11B1 P28845 11/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 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
SCHEMBL12809580 1.00 HTT (0.38) HTTHSD11B1LMNAHSD17B10CNR2
SCHEMBL12809747 0.86 HTT (0.49) HTTHSD11B1LMNAHSD17B10CNR2
SCHEMBL12809450 0.85 HSD11B1 (0.44) HTTHSD11B1LMNAHSD17B10ALDH1A1
SCHEMBL12809739 0.85 HSD11B1 (0.44) HTTHSD11B1LMNAHSD17B10ALDH1A1
SCHEMBL12809586 0.84 HSD11B1 (0.43) HSD11B1
SCHEMBL12809752 0.83 CNR2 (0.35) HSD11B1LMNAHSD17B10CNR2MEN1
SCHEMBL14413254 0.83 HSD11B1 (0.42) HSD11B1
SCHEMBL12809455 0.83 HSD11B1 (0.42) HSD11B1
SCHEMBL1406827 0.83 HTT (0.55) HTTHSD11B1LMNAALDH1A1HPGD
SCHEMBL12809759 0.83 CNR2 (0.37) HSD11B1LMNAHSD17B10CNR2MEN1

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-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed