SCHEMBL6848128

SCHEMBL6848128

O=C(COCc1ccccc1)C1CNCCN1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
LTA4H P09960 1/20 0.42
GLA P06280 1/20 0.40
GRM5 P41594 4/20 0.40
TACR1 P25103 1/20 0.40
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL6615162 0.86 CHRM2 (0.42) HTR2CGLATACR1LMNA
SCHEMBL27372387 0.80 TSHR (0.54) HTR2CGLATSHR
SCHEMBL6040251 0.76 GRM5 (0.39) HTR2CGRM5TACR1LMNATSHR
SCHEMBL28514239 0.76 GLA (0.44) HTR2CGLATSHR
SCHEMBL12479526 0.75 GLA (0.43) HTR2CGLAHTR2BLMNATSHR
SCHEMBL17070 0.72 LTA4H (0.61) LTA4HTACR1LMNATSHRBCHE
SCHEMBL6299585 0.72 LTA4H (0.61) LTA4HTACR1LMNATSHRBCHE
SCHEMBL17069 0.72 LTA4H (0.61) LTA4HTACR1LMNATSHRBCHE
SCHEMBL17144545 0.71 MC4R (0.63) HTR2CHTR2BTSHR
Phenol SCHEMBL28709666 0.71 CNR2 (0.41) GLATSHR

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
EP-0874852-B1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS UPJOHN CO (US) 2004-03-31 EP disclosed