SCHEMBL8105785

SCHEMBL8105785

O=C1OC(CO)CN1c1ccc(-n2cncn2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.61
MAOB P27338 11/20 0.48
MAOA P21397 8/20 0.48
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL8105780 1.00 CALML3 (0.61) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5328084 0.89 CALML3 (0.47) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5328092 0.89 CALML3 (0.47) CALML3MAOBMAOALMNAPTGS1
SCHEMBL7838905 0.85 MAOA (0.68) CALML3MAOBMAOALMNAPTGS1
SCHEMBL7838909 0.85 MAOA (0.68) CALML3MAOBMAOALMNAPTGS1
SCHEMBL14540794 0.85 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL8111378 0.83 CALML3 (0.61) CALML3MAOBMAOALMNAPTGS1
SCHEMBL8111373 0.83 CALML3 (0.61) CALML3MAOBMAOALMNAPTGS1
SCHEMBL1557035 0.83 CALML3 (0.66) CALML3MAOBMAOACYP2C19CYP2C9
SCHEMBL7831813 0.82 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1075073-C Hetero-aromatic ring substituted phenyloxazolidinone antimicrobials UPJOHN CO (US) 2001-11-21 CN disclosed
US-6124334-A A BACTERICIDE TREATING INFECTIONS CAUSED BY GRAM-POSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCUS, STREPTOCOCCUS AND ENTEROCOCCUS AS WELL AS ANAEROBIC ORGANISMS SUCH AS BACTEROIDES AND CLOSTRIDIUM AND MYCOBACTERIDIUM PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US disclosed
US-5910504-A BACTERICIDES TREATING INFECTIONS PHARMACIA & UPJOHN (US) 1999-06-08 US disclosed
CN-1172484-A Phenyl oxazolidinone antibacterial agents substituted with heteroaromatic rings UPJOHN CO (US) 1998-02-04 CN disclosed