SCHEMBL12645241

SCHEMBL12645241

CCCCN(CCC)c1nc(C)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.53
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC29A1 Q99808 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
SCHEMBL12442851 0.96 CRHR1 (0.55) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL12109976 0.91 CRHR1 (0.57) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL12644981 0.91 CRHR1 (0.53) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL821901 0.83 CRHR1 (0.67) CRHR1MAPTSMN1; SMN2
SCHEMBL14355907 0.83 CRHR1 (0.50) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL26771575 0.83 CRHR1 (0.50) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL13250500 0.82 CRHR1 (0.49) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL11469164 0.82 CRHR1 (0.49) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL12905000 0.82 CRHR1 (0.54) CRHR1MAPTSMN1; SMN2SLC29A1
SCHEMBL5355585 0.82 MAPT (0.50) CRHR1MAPTSMN1; SMN2SLC29A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332933-A1 Epithelial sodium channel (ENaC) inhibitors Novartis AG (CH) 2011-06-15 EP disclosed