SCHEMBL12809703

SCHEMBL12809703

Cn1ncc(C(=O)NC2CCC3CC4CC(C3)C2C4)c1N1CCSCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
HSD11B1 P28845 6/20 0.36
HSD17B10 Q99714 2/20 0.35
IDH1 O75874 1/20 0.35
ALDH1A1 P00352 3/20 0.34
OPRK1 P41145 2/20 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
HRH4 Q9H3N8 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL12809710 0.91 HTT (0.40) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809702 0.90 HTT (0.39) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809582 0.90 HTT (0.39) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809748 0.90 HRH4 (0.41) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809749 0.89 LMNA (0.39) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809750 0.88 ALDH1A1 (0.41) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809575 0.86 IDH1 (0.37) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL14412764 0.85 HTT (0.36) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809585 0.85 HTT (0.38) LMNAHTTHSD11B1HSD17B10IDH1
SCHEMBL12809583 0.85 HTT (0.38) LMNAHTTHSD11B1HSD17B10IDH1

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