SCHEMBL4740732

SCHEMBL4740732

c1cnc(SC[C@@H]2CCCN2)nc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CRBN Q96SW2 1/20 0.44
CHRNA3 P32297 4/20 0.43
CHRNB4 P30926 3/20 0.43
POLB P06746 1/20 0.38
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4742878 0.72 POLB (0.49) CRBNCHRNA3CHRNB4POLBKMT2A
SCHEMBL28324714 0.72 L3MBTL1 (0.46) CHRNB2CHRNA4POLBKMT2A
SCHEMBL21999450 0.71 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6977466 0.70 CRBN (0.53) CRBNKMT2A
SCHEMBL9078944 0.69 POLB (0.57) CRBNPOLBKMT2A
SCHEMBL5347497 0.68 CYP2D6 (0.39) CHRNA3CHRNB4POLBKMT2A
SCHEMBL1484948 0.68 POLB (0.51) CHRNB2CHRNA4CHRNA3CHRNB4POLB
SCHEMBL30931485 0.68 POLB (0.51) CHRNB2CHRNA4CHRNA3CHRNB4POLB
SCHEMBL1484949 0.68 POLB (0.51) CHRNB2CHRNA4CHRNA3CHRNB4POLB
SCHEMBL13620123 0.68 POLB (0.51) CHRNB2CHRNA4CHRNA3CHRNB4POLB

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-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed