SCHEMBL4041874

SCHEMBL4041874

Cc1c(OC(=O)NC2(C(=O)N3CCC4C3C(=O)CN4C(=O)Cc3cccnc3)CCCCC2)oc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
GAA P10253 2/20 0.36
USP2 O75604 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
PAX8 Q06710 1/20 0.32
MAPT P10636 1/20 0.32
NAMPT P43490 2/20 0.31
C3AR1 Q16581 1/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
VKORC1 Q9BQB6 1/20 0.31

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
SCHEMBL4049041 0.88 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4GAAUSP2
SCHEMBL4045681 0.85 LMNA (0.36) CHRNB2CHRNA7CHRNA4GAAUSP2
SCHEMBL4044596 0.83 CTSL (0.38) GAALMNASMN1; SMN2HTTKMT2A
SCHEMBL4050081 0.82 CTSK (0.42) CHRNB2CHRNA7CHRNA4GAAPAX8
SCHEMBL4041842 0.82 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4GAAUSP2
SCHEMBL4040431 0.82 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4GAAUSP2
SCHEMBL4049555 0.81 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4GAAKMT2A
SCHEMBL4041595 0.79 CTSK (0.42)
SCHEMBL4044961 0.79 CHRNB2 (0.35) CHRNB2CHRNA7CHRNA4GAAUSP2
SCHEMBL4050906 0.79 PAX8 (0.32) SMN1; SMN2PAX8NAMPT

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed