SCHEMBL4380979

SCHEMBL4380979

Nc1cc(F)c(N2CCCOCC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
MAOA P21397 1/20 0.40
LGMN Q99538 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30802793 0.94 CA12 (0.47) CA12CA1CA2CA7CA13
SCHEMBL240017 0.83 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL4387010 0.82 MAOA (0.46) CA12CA1CA2CA7CA13
SCHEMBL3922530 0.78 ALDH1A1 (0.50) LGMNALDH1A1KDM4ELMNAMAPT
SCHEMBL4377762 0.76 MAPT (0.59) ALDH1A1KDM4ELMNAMAPTCYP1A2
SCHEMBL1354385 0.74 MAOA (0.50) CA12CA1CA2CA7CA13
SCHEMBL29173633 0.73 CA12 (0.47) CA12CA1CA2CA7CA13
Hydrochloric Acid SCHEMBL2385610 0.73 MAOA (0.49) CA12CA1CA2CA7CA13
SCHEMBL13634014 0.71 MAOA (0.68) CA12CA1CA2CA7CA13
SCHEMBL4387016 0.71 MAOA (0.68) CA12CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899331-B1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2009-11-25 EP disclosed
EP-1899331-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-19 EP disclosed
WO-2007000644-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-04 WO disclosed