SCHEMBL12809574

SCHEMBL12809574

CC(C)(C)n1ncc(C(=O)NC2CCC3CC4CC(C3)C2C4)c1N1CCC(O)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.33
IDH1 O75874 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
OPRK1 P41145 2/20 0.30
ABL1 P00519 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL12809589 0.94 HSD11B1 (0.34) HSD11B1IDH1LMNAHSD17B10ALDH1A1
SCHEMBL12809752 0.89 CNR2 (0.35) HSD11B1IDH1LMNAHSD17B10MEN1
SCHEMBL12809759 0.88 CNR2 (0.37) HSD11B1IDH1LMNAHSD17B10MEN1
SCHEMBL12809585 0.88 HTT (0.38) HSD11B1IDH1LMNAHSD17B10ALDH1A1
SCHEMBL12809583 0.88 HTT (0.38) HSD11B1IDH1LMNAHSD17B10ALDH1A1
SCHEMBL1406991 0.86 LMNA (0.44) HSD11B1LMNASMN1; SMN2HPGD
SCHEMBL12809588 0.82 HSD11B1 (0.39) HSD11B1LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL12809751 0.82 HSD11B1 (0.39) HSD11B1LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL12809749 0.82 LMNA (0.39) HSD11B1IDH1LMNAHSD17B10ALDH1A1
SCHEMBL12809778 0.80 HTT (0.38) HSD11B1LMNAHSD17B10ALDH1A1MEN1

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