SCHEMBL6233220

SCHEMBL6233220

Cc1c(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.48
CHRNA7 P36544 6/20 0.48
CHRNA4 P43681 6/20 0.48
GAA P10253 2/20 0.47
CTSK P43235 2/20 0.47
CAPN1 P07384 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
USP2 O75604 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8348382 0.89 CTSK (0.57) CHRNB2CHRNA7CHRNA4GAACTSK
SCHEMBL4050081 0.89 CTSK (0.42) CHRNB2CHRNA7CHRNA4GAACTSK
SCHEMBL4044197 0.85 CTSK (0.63) CHRNB2CHRNA7CHRNA4CTSKLMNA
SCHEMBL4042794 0.84 CTSK (0.57) CTSK
SCHEMBL8348149 0.83 CTSK (0.67) CTSKCAPN1SMN1; SMN2MAPK1
SCHEMBL6237263 0.83 CTSK (0.52) CHRNB2CHRNA7CHRNA4CTSKSMN1; SMN2
SCHEMBL4047037 0.82 CTSK (0.56) CTSKLMNA
SCHEMBL4041333 0.81 CTSK (0.69) GAACTSKLMNASMN1; SMN2HTT
SCHEMBL4041842 0.81 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4GAACTSK
SCHEMBL4040431 0.81 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4GAACTSK

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed