SCHEMBL6155512

SCHEMBL6155512

[CH2]CNC(C)c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
ACHE P22303 3/20 0.56
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL10244994 0.83 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL17029843 0.83 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL1132538 0.79 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL335035 0.79 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL1132867 0.79 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL1989100 0.79 CA1 (0.49) CA1CA2ACHEHTR2AHTR2C
SCHEMBL19286309 0.76 CA1 (0.58) CA1CA2ACHEHTR2ACYP2D6
SCHEMBL15473849 0.76 CYP2D6 (0.61) CA1CA2ACHEHTR2ACYP2D6
SCHEMBL2401390 0.76 CYP2D6 (0.61) CA1CA2ACHEHTR2ACYP2D6
SCHEMBL20376231 0.76 CYP2D6 (0.61) CA1CA2ACHEHTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP claimed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP disclosed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO disclosed