SCHEMBL13626546

SCHEMBL13626546

O=C(Nc1ccc(N2CCOCC2=O)cc1)C1c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.63
MAPT P10636 1/20 0.46
PTGS2 P35354 2/20 0.46

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
SCHEMBL4593614 0.90 F10 (0.59) F10
SCHEMBL13626511 0.86 F10 (0.70) F10MAPT
SCHEMBL76239 0.80 F10 (0.72) F10MAPTPTGS2
SCHEMBL76238 0.80 F10 (0.72) F10MAPTPTGS2
SCHEMBL14533691 0.79 F10 (0.48) F10
SCHEMBL4605212 0.79 F10 (0.54) F10
SCHEMBL77879 0.79 F10 (0.75) F10MAPTPTGS2
SCHEMBL4606642 0.79 F10 (0.54) F10
SCHEMBL77878 0.79 F10 (0.75) F10MAPTPTGS2
SCHEMBL76591 0.79 F10 (0.73) F10MAPTPTGS2

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
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed