SCHEMBL5223010

SCHEMBL5223010

CN[C@@H]1CN(c2cc(F)c(-c3ccc(-n4cncn4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
CALML3 P27482 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 8/20 0.33
MAOB P27338 2/20 0.33
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2890506 0.84 CALML3 (0.42) KDM4EALDH1A1CALML3CYP2C19CYP3A4
SCHEMBL5223015 0.84 CALML3 (0.42) KDM4EALDH1A1CALML3CYP2C19CYP3A4
SCHEMBL5227937 0.82 KDM4E (0.39) KDM4EALDH1A1GLAHTTCALML3
SCHEMBL2896279 0.82 MAOA (0.51) CALML3MAOAMAOB
SCHEMBL2897678 0.82 MAOA (0.40) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL5227943 0.82 KDM4E (0.38) KDM4EALDH1A1GLAHTTCALML3
SCHEMBL2890869 0.81 MAOA (0.43) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL2890769 0.81 MAOA (0.44) KDM4EALDH1A1CALML3MAOAMAOB
SCHEMBL2890683 0.80 CALML3 (0.39) KDM4EALDH1A1CALML3CYP2C19CYP3A4
SCHEMBL5223052 0.80 CALML3 (0.38) CALML3CYP2C19CYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO disclosed