SCHEMBL4717851

SCHEMBL4717851

NC1C2CC3CC1CC(O)(C3)C2.O=C(O)c1cnn(C2CCC2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.42
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13294111 0.83 HSD11B1 (0.58) HSD11B1
SCHEMBL1407231 0.81 POLB (0.49) HSD11B1POLBMAPTSMN1; SMN2
SCHEMBL13294041 0.81 HSD11B1 (0.58) HSD11B1
SCHEMBL13294048 0.80 HSD11B1 (0.57) HSD11B1
SCHEMBL1406647 0.79 POLB (0.49) HSD11B1POLBMAPTSMN1; SMN2
SCHEMBL4718475 0.78 HSD11B1 (0.40) HSD11B1POLBMAPTSMN1; SMN2
SCHEMBL13294070 0.78 HSD11B1 (0.60) HSD11B1
SCHEMBL1406716 0.78 HSD11B1 (0.60) HSD11B1
SCHEMBL27172741 0.78 POLB (0.48) HSD11B1POLBMAPTSMN1; SMN2
SCHEMBL1406795 0.78 POLB (0.48) HSD11B1POLBMAPTSMN1; SMN2

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-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed