SCHEMBL5223015

SCHEMBL5223015

NCC1CN(c2cc(F)c(-c3ccc(-n4cncn4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAOA P21397 6/20 0.39
MAOB P27338 2/20 0.39
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F10 P00742 1/20 0.37

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 1.00 CALML3 (0.42) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL2896721 0.88 CALML3 (0.41) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL5223060 0.87 CALML3 (0.38) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL5222880 0.87 CALML3 (0.40) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL2890683 0.87 CALML3 (0.39) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL2896788 0.87 F10 (0.40) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL2890769 0.86 MAOA (0.44) CALML3MAOAMAOBKDM4EALDH1A1
SCHEMBL2896279 0.86 MAOA (0.51) CALML3MAOAMAOBF10
SCHEMBL5223052 0.85 CALML3 (0.38) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL2890867 0.85 CALML3 (0.40) CALML3CYP2C9CYP2C19MAOAMAOB

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