SCHEMBL9301575

SCHEMBL9301575

CN(NC(=O)Cc1nc2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C1CC1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
HTT P42858 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
GPR119 Q8TDV5 6/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
CDK2 P24941 1/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
TLR9 Q9NR96 1/20 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
SCHEMBL9847718 0.94 CYP11B2 (0.35) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9302442 0.93 RORC (0.41) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9301682 0.88 RORC (0.42) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9303809 0.86 HTT (0.41) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9301471 0.86 RORC (0.41) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9301571 0.86 RORC (0.30) RORC
SCHEMBL9847732 0.86 HTT (0.43) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9301681 0.85 HTT (0.42) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9301581 0.83 HTT (0.50) RORCHTTOPRM1OPRD1OGFRL1
SCHEMBL9302252 0.82 ACHE (0.42) RORCOPRM1OPRD1OGFRL1GPR119

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