SCHEMBL4722018

SCHEMBL4722018

CCCCCCn1ncc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HCAR3 P49019 1/20 0.38
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL4719231 0.94 POLB (0.48) POLBMAPTSMN1; SMN2CNR1CNR2
SCHEMBL6251041 0.82 POLB (0.53) POLBMAPTSMN1; SMN2
SCHEMBL27758481 0.82 CNR2 (0.37) POLBMAPTSMN1; SMN2CNR1CNR2
SCHEMBL1406899 0.79 POLB (0.47) POLBMAPTSMN1; SMN2HCAR3KDM4C
SCHEMBL23039053 0.79 POLB (0.47) POLBMAPTSMN1; SMN2
SCHEMBL4717605 0.78 KDM4E (0.47) POLBMAPTSMN1; SMN2
SCHEMBL1407135 0.77 MAPT (0.45) POLBMAPTSMN1; SMN2
SCHEMBL7811465 0.77 MAPK14 (0.43)
SCHEMBL31319669 0.77 TLR8 (0.40)
SCHEMBL26123653 0.77 POLB (0.50) POLBMAPTSMN1; 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