SCHEMBL6712840

SCHEMBL6712840

O=C(Nc1cc(F)ccc1N1CC2[C@@H](COC3CCCCO3)[C@H]2C1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.42
KDM1A O60341 6/20 0.40
MAOA P21397 6/20 0.40
KDM1B Q8NB78 6/20 0.40
RCOR1 Q9UKL0 6/20 0.40
MAOB P27338 4/20 0.40
CHRM3 P20309 6/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BCHE P06276 1/20 0.37
CASP3 P42574 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL6709824 0.89 MGAT2 (0.37) MGAT2MAOBCHRM3HRH3BCHE
SCHEMBL6711214 0.89 MGAT2 (0.37) MGAT2MAOBCHRM3HRH3BCHE
SCHEMBL6337577 0.87 MAPT (0.41) KDM1AMAOAMAOBALDH1A1BCHE
SCHEMBL6345336 0.87 MAPT (0.41) KDM1AMAOAMAOBALDH1A1BCHE
SCHEMBL6709204 0.84 EP300 (0.40) MAOBALDH1A1BCHEMGLL
SCHEMBL6335708 0.84 EP300 (0.40) MAOBALDH1A1BCHEMGLL
SCHEMBL6709937 0.83 CHRM3 (0.46) MGAT2KDM1AMAOAKDM1BRCOR1
SCHEMBL6709795 0.76 MGAT2 (0.41) MGAT2KDM1AMAOAKDM1BRCOR1
SCHEMBL5746506 0.73 RORC (0.42) MGAT2KDM1AMAOAKDM1BRCOR1
SCHEMBL6339016 0.69 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed