SCHEMBL12809762

SCHEMBL12809762

CN(CCO)c1c(C(=O)NC2CCC3CC4CC(C3)C2C4)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
HSD11B1 P28845 8/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
IDH1 O75874 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
SCHEMBL12809457 0.90 HSD11B1 (0.38) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809456 0.85 LMNA (0.39) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL1407028 0.84 LMNA (0.53) LMNAHTTHSD11B1ALDH1A1HPGD
SCHEMBL12809746 0.82 HTT (0.39) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809747 0.80 HTT (0.49) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809741 0.78 HTT (0.40) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809567 0.78 LMNA (0.40) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809764 0.77 HSD11B1 (0.40) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL14412764 0.77 HTT (0.36) LMNAHTTHSD11B1HSD17B10ALDH1A1
SCHEMBL12809565 0.77 LMNA (0.38) LMNAHTTHSD11B1HSD17B10ALDH1A1

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