SCHEMBL7830748

SCHEMBL7830748

O=C1OC(CO)CN1c1ccc(-n2ccnn2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.61
MAOA P21397 12/20 0.60
MAOB P27338 3/20 0.60
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
KCNH2 Q12809 1/20 0.53

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
SCHEMBL7830744 1.00 CALML3 (0.61) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL7829561 0.85 MAOA (0.68) CALML3MAOAMAOB
SCHEMBL7829558 0.85 MAOA (0.68) CALML3MAOAMAOB
SCHEMBL8111378 0.85 CALML3 (0.61) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL8111373 0.85 CALML3 (0.61) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL14540833 0.85 MAOB (0.55) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL14213964 0.84 MAOA (0.54) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL7840221 0.83 MAOB (0.53) CALML3MAOAMAOB
SCHEMBL7840219 0.83 MAOB (0.53) CALML3MAOAMAOB
SCHEMBL14852816 0.83 MAOA (0.66) CALML3MAOAMAOBCYP3A4CYP2D6

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 6 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
EP-0807112-B1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2001-09-05 EP 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
WO-1996023788-A1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA + UPJOHN COMPANY (US) 1996-08-08 WO disclosed