SCHEMBL8096814

SCHEMBL8096814

CN(C)NC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MCHR1 Q99705 2/20 0.46
NOTUM Q6P988 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 3/20 0.42
CCR2 P41597 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL8103747 0.87 MCHR1 (0.48) CA12CA1CA2CA9MCHR1
SCHEMBL8089857 0.86 NPSR1 (0.47) CA12CA1CA2CA9MCHR1
SCHEMBL6203746 0.84 NOTUM (0.51) CA12CA1CA2CA9MCHR1
SCHEMBL7613749 0.83 MCHR1 (0.50) CA12CA1CA2CA9MCHR1
SCHEMBL8103674 0.83 MCHR1 (0.45) CA12CA1CA2CA9MCHR1
SCHEMBL8661980 0.83 ALDH1A1 (0.48) CA12CA1CA2CA9MCHR1
SCHEMBL8096830 0.82 MCHR1 (0.44) CA12CA1CA2CA9MCHR1
SCHEMBL7607718 0.79 MCHR1 (0.47) CA12CA1CA2CA9MCHR1
SCHEMBL8615201 0.79 MCHR1 (0.47) CA12CA1CA2CA9MCHR1
SCHEMBL5827041 0.77 CA12 (0.53) CA12CA1CA2CA9MCHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed