SCHEMBL4047148

SCHEMBL4047148

COc1ccc2oc(OC(=O)NC(CC(C)C)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3cccnc3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
KCNQ1 P51787 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.35
PIK3CG P48736 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
CTSL P07711 4/20 0.34

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
SCHEMBL4043537 0.93 PIK3CG (0.37) CHRNB2CHRNA7CHRNA4KCNQ1MEN1
SCHEMBL4043869 0.93 KCNQ1 (0.37) CHRNB2CHRNA7CHRNA4KCNQ1TAS1R3
SCHEMBL4043843 0.92 CTSK (0.41) TAS1R3TAS1R1CTSKHSD17B10CTSL
SCHEMBL4046703 0.91 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4TAS1R3TAS1R1
SCHEMBL4049366 0.91 CTSK (0.38) CHRNB2CHRNA7CHRNA4TAS1R3TAS1R1
SCHEMBL4043432 0.90 KCNQ1 (0.38) CHRNB2CHRNA7CHRNA4KCNQ1MEN1
SCHEMBL4042354 0.89 TAS1R3 (0.37) TAS1R3TAS1R1CTSKALDH1A1LMNA
SCHEMBL4041991 0.88 CTSK (0.46) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4044616 0.87 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4KCNQ1KMT2A
SCHEMBL4047073 0.86 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4TAS1R3TAS1R1

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