SCHEMBL6529626

SCHEMBL6529626

CN1C(=O)COc2cc(N3CC(CN)OC3=O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.61
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 3/20 0.40
GRM2 Q14416 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 1/20 0.38

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
SCHEMBL6529624 1.00 F10 (0.61) F10CYP11B2CYP11B1MAOBMAOA
SCHEMBL8131862 1.00 F10 (0.61) F10CYP11B2CYP11B1MAOBMAOA
SCHEMBL6527478 0.89 F10 (0.50) F10MAOBMAOAGRM2LMNA
SCHEMBL6529666 0.89 F10 (0.64) F10CYP11B2CYP11B1MAOBMAOA
SCHEMBL8131813 0.87 F10 (0.50) F10MAOBMAOAGRM2
SCHEMBL6508220 0.86 F10 (0.50) F10MAOBMAOAGRM2LMNA
SCHEMBL6508224 0.86 F10 (0.50) F10MAOBMAOAGRM2LMNA
SCHEMBL6530388 0.84 F10 (0.47) F10MAOBMAOAGRM2LMNA
SCHEMBL6505696 0.84 F10 (0.47) F10MAOBMAOAGRM2LMNA
SCHEMBL8145429 0.84 F10 (0.68) F10MAOBMAOALMNAPTGS1

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-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed