SCHEMBL9301295

SCHEMBL9301295

CN(C(=O)OC(C)(C)C)n1c(=O)cc2n(C3CC3)c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)cc3n2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
DPP4 P27487 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL9302286 0.93 OPRM1 (0.38) OPRM1OPRD1OGFRL1HRH3KDM4E
SCHEMBL9303155 0.86 HRH3 (0.38) OPRM1OPRD1OGFRL1HRH3KDM4E
SCHEMBL9302582 0.83 ALDH1A1 (0.37) OPRM1OPRD1OGFRL1HRH3KDM4E
SCHEMBL9303636 0.83 CDK4 (0.36) OPRM1OPRD1OGFRL1HRH3KDM4E
SCHEMBL9847726 0.81 KDM4E (0.40) KDM4EALDH1A1MAPTLMNA
SCHEMBL9304073 0.79 MAPT (0.39) OPRM1OPRD1OGFRL1HRH3KDM4E
SCHEMBL9301342 0.79 STS (0.38) OPRM1OPRD1OGFRL1HRH3MAPT
SCHEMBL9301603 0.74 ALDH1A1 (0.41) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL9302223 0.73 KDM4E (0.41) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9303642 0.71 OPRM1 (0.36) OPRM1OPRD1OGFRL1HRH3KDM4E

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