SCHEMBL14838697

SCHEMBL14838697

O=C(c1ccc(Cl)s1)N(O)C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.82
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C9 P11712 2/20 0.79
CYP2C19 P33261 2/20 0.79
CYP2J2 P51589 1/20 0.79
ABCB11 O95342 1/20 0.71
F2 P00734 1/20 0.71
ST14 Q9Y5Y6 1/20 0.71

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
SCHEMBL14838628 0.90 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15180492 0.90 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12493717 0.90 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL392956 0.89 F10 (0.78) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15846795 0.89 CYP1A2 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12490259 0.88 F10 (0.80) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL391586 0.88 F10 (0.77) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1646329 0.86 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838649 0.86 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3747360 0.85 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 WO disclosed