SCHEMBL3883480

SCHEMBL3883480

CC1CN(c2c[c]cnc2)CC(C)N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
GHSR Q92847 2/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
PTPN11 Q06124 2/20 0.30
CHRNA7 P36544 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
SCHEMBL2066752 0.71 CHKA (0.39) CHRNB2CHRNA4CHRNA7
SCHEMBL3607639 0.71 CHKA (0.43) CHRNB2CHRNA4CHRNA7
SCHEMBL5658207 0.71
SCHEMBL3722313 0.70 ADRA2C (0.40)
SCHEMBL3540906 0.70 CHRNB4 (0.44) TGFBR1ACVR1KCNH2CHRNB4CHRNA3
SCHEMBL3540904 0.70 CHRNB4 (0.44) TGFBR1ACVR1KCNH2CHRNB4CHRNA3
SCHEMBL4162890 0.69 CHKA (0.42) CHRNB2CHRNA4CHRNA7
SCHEMBL5659840 0.69 CHKA (0.42) CHRNB2CHRNA4CHRNA7
SCHEMBL5656747 0.69 CHKA (0.42) CHRNB2CHRNA4CHRNA7
SCHEMBL23561115 0.68 TGFBR1 (0.39) TGFBR1ACVR1KCNH2CHRNB4CHRNA3

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-2013178-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2009-01-14 EP disclosed
WO-2007113202-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed