SCHEMBL4434486

SCHEMBL4434486

CNC(=O)C1CC2(CC=NO2)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL4438034 0.84 CHRNB2 (0.31) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL18202770 0.64 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL17559298 0.63
SCHEMBL20329242 0.62 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL23033207 0.61 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL27932857 0.61 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2536916 0.60 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL12846334 0.60 GAA (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL26027466 0.60 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL103880 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP claimed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO claimed
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO disclosed