SCHEMBL21714937

SCHEMBL21714937

CNC(=O)C1CN=C(C)C=N1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL21714966 0.72 GABRA1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14765393 0.60
SCHEMBL24258179 0.60
SCHEMBL15679196 0.59 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2915330 0.59
SCHEMBL7373994 0.58 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17623531 0.57 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17623526 0.57 MEN1 (0.31)
SCHEMBL17623528 0.57 SHMT2 (0.31)
SCHEMBL22299786 0.56

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
WO-2020029980-A1 SMAD3 INHIBITORS MOEXA PHARMACEUTICALS LIMITED (CN) 2020-02-13 WO disclosed