SCHEMBL8325508

SCHEMBL8325508

Fc1cccc([CH]CCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.55
GPR52 Q9Y2T5 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
NPC1 O15118 1/20 0.46
CHRM5 P08912 1/20 0.46
GRM5 P41594 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TAAR1 Q96RJ0 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7460344 0.90 TAAR1 (0.53) NFE2L2GPR52CYP1A2CYP3A4CYP2D6
SCHEMBL1115608 0.82 MAOB (0.46) GPR52TAAR1MAOAMAOBALDH1A1
SCHEMBL7814468 0.81 NFE2L2 (0.48) NFE2L2GPR52NPC1RAB9ATAAR1
SCHEMBL8321871 0.78 MAOB (0.60) CYP3A4NPC1TAAR1MAOAMAOB
SCHEMBL3822095 0.78 GPR52 (0.51) GPR52NPC1RAB9ATAAR1MAOA
SCHEMBL8324164 0.78 ALDH1A1 (0.51) NPC1CHRM5RAB9ATAAR1MAOB
SCHEMBL8366338 0.77 NFE2L2 (0.54) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL8591746 0.76 TAAR1 (0.65) GPR52TAAR1MAOAMAOBALDH1A1
SCHEMBL8840811 0.76 NFE2L2 (0.52) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL154188 0.76 NFE2L2 (0.55) NFE2L2CYP1A2CYP3A4CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885981-A REACTING A HALOGENATED ALKYL COMPOUND WITH A PENEM COMPOUND SUNTORY LIMITED (JP) 1999-03-23 US claimed
US-5830889-A ANTIBIOTIC IN ORAL DOSAGE FORMS SUNTORY LIMITED (JP) 1998-11-03 US claimed
WO-1992003442-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1992-03-05 WO claimed
EP-0544907-B1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LTD (JP) 1999-10-27 EP disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
US-5885981-A REACTING A HALOGENATED ALKYL COMPOUND WITH A PENEM COMPOUND SUNTORY LIMITED (JP) 1999-03-23 US disclosed
US-5885981-A REACTING A HALOGENATED ALKYL COMPOUND WITH A PENEM COMPOUND SUNTORY LIMITED (JP) 1999-03-23 US disclosed
US-5830889-A ANTIBIOTIC IN ORAL DOSAGE FORMS SUNTORY LIMITED (JP) 1998-11-03 US disclosed
US-5830889-A ANTIBIOTIC IN ORAL DOSAGE FORMS SUNTORY LIMITED (JP) 1998-11-03 US disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
EP-0757050-A1 Antibacterial penem esters derivatives SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0544907-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1993-06-09 EP disclosed
WO-1992003442-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1992-03-05 WO disclosed
WO-1992003442-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1992-03-05 WO disclosed