SCHEMBL9302252

SCHEMBL9302252

CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2F)nc(CC(=O)NOCc2ccccc2)n3C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
RORC P51449 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
SLC2A1 P11166 1/20 0.40
GRM5 P41594 1/20 0.39
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
STS P08842 1/20 0.39
YAP1 P46937 2/20 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
SCHEMBL9301969 0.91 GRM5 (0.42) RORCOPRM1OPRD1OGFRL1GRM5
SCHEMBL9302144 0.89 GRM5 (0.39) OPRM1OPRD1OGFRL1GRM5LMNA
SCHEMBL9301682 0.87 RORC (0.42) RORCOPRM1OPRD1OGFRL1GPR119
SCHEMBL9303809 0.87 HTT (0.41) ACHERORCOPRM1OPRD1OGFRL1
SCHEMBL9301471 0.85 RORC (0.41) RORCOPRM1OPRD1OGFRL1GPR119
SCHEMBL9847732 0.85 HTT (0.43) ACHERORCOPRM1OPRD1OGFRL1
SCHEMBL9303690 0.85 OPRM1 (0.37) RORCOPRM1OPRD1OGFRL1
SCHEMBL9301681 0.84 HTT (0.42) RORCOPRM1OPRD1OGFRL1GPR119
SCHEMBL9302442 0.84 RORC (0.41) RORCOPRM1OPRD1OGFRL1TLR9
SCHEMBL9301575 0.82 RORC (0.39) ACHERORCOPRM1OPRD1OGFRL1

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
US-5283248-A Bactericides, enzyme inhibitor of DNA-gyrase in bacteria HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed