SCHEMBL6823337

SCHEMBL6823337

O=C(CCC(=O)c1ccc2ccccc2c1)NCC1CN(c2ccccc2C2CCNC[C@H]2F)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 2/20 0.34
HTR1A P08908 2/20 0.33
F10 P00742 2/20 0.33
AIMP2 Q13155 1/20 0.33
CHRM1 P11229 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
REN P00797 1/20 0.32
CETP P11597 1/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 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
SCHEMBL3526042 1.00 PARP1 (0.35) PARP1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3524012 0.91 F10 (0.36) F10CHRM1MAOB
SCHEMBL3523459 0.89 L3MBTL1 (0.35) F10CHRM1MAOB
SCHEMBL3525596 0.89 F10 (0.38) F10CHRM1SMN1; SMN2CETP
SCHEMBL3525099 0.89 GRM2 (0.37) PARP1HTR1ACHRM1
SCHEMBL3521790 0.87 ALDH1A1 (0.35) F10CHRM1MAOBKDM4EHPGD
SCHEMBL3524540 0.87 F10 (0.40) F10MAOB
SCHEMBL6822916 0.87 F10 (0.40) F10MAOB
SCHEMBL3522663 0.86 TSHR (0.35) F10CHRM1MAOB
SCHEMBL3522293 0.84 F10 (0.41) F10MAOBHPGD

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
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed