SCHEMBL12809759

SCHEMBL12809759

CC(C)(C)n1ncc(C(=O)NC2CCC3CC4CC(C3)C2C4)c1N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 7/20 0.34
TYK2 P29597 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDH1 O75874 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL12809752 0.99 CNR2 (0.35) CNR2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12809589 0.91 HSD11B1 (0.34) MEN1KMT2AHSD11B1LMNAHSD17B10
SCHEMBL12809574 0.88 HSD11B1 (0.33) MEN1KMT2AHSD11B1LMNAHSD17B10
SCHEMBL12809702 0.87 HTT (0.39) CNR2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12809582 0.87 HTT (0.39) CNR2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12809710 0.86 HTT (0.40) CNR2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1406818 0.84 CNR2 (0.48) CNR2HSD11B1LMNA
SCHEMBL1407012 0.83 HSD11B1 (0.48) CNR2HSD11B1LMNA
SCHEMBL12809751 0.83 HSD11B1 (0.39) HSD11B1TYK2LMNAHSD17B10
SCHEMBL12809588 0.83 HSD11B1 (0.39) HSD11B1TYK2LMNAHSD17B10

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-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed