SCHEMBL13626511

SCHEMBL13626511

O=C(Nc1ccc(N2CCOCC2=O)cc1)C1Cc2ccccc2CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.70
MAPT P10636 1/20 0.48
CFTR P13569 2/20 0.48

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
SCHEMBL4607194 0.90 F10 (0.59) F10
SCHEMBL4606478 0.90 F10 (0.59) F10
SCHEMBL76239 0.89 F10 (0.72) F10MAPT
SCHEMBL76238 0.89 F10 (0.72) F10MAPT
SCHEMBL13626546 0.86 F10 (0.63) F10MAPT
SCHEMBL13626560 0.85 F10 (0.52) F10CFTR
SCHEMBL13626564 0.84 F10 (0.54) F10CFTR
SCHEMBL13664671 0.84 F10 (0.54) F10CFTR
SCHEMBL77879 0.83 F10 (0.75) F10MAPT
SCHEMBL77878 0.83 F10 (0.75) F10MAPT

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