SCHEMBL13626557

SCHEMBL13626557

O=C(Nc1ccc(-n2ccccc2=S)cc1)C1Cc2cc(O)ccc2CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
CFTR P13569 6/20 0.45
PRSS1 P07477 1/20 0.42

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
SCHEMBL13626556 0.91 F10 (0.55) F10CFTR
SCHEMBL13626553 0.82 F10 (0.61) F10CFTR
SCHEMBL13626552 0.82 F10 (0.61) F10CFTR
SCHEMBL13626555 0.77 F10 (0.49) F10CFTR
SCHEMBL4605676 0.74 F10 (0.76) F10
SCHEMBL4604418 0.74 F10 (0.78) F10
SCHEMBL4606847 0.74 F10 (0.78) F10
SCHEMBL13626565 0.73 F10 (0.56) F10CFTR
SCHEMBL13626536 0.73 F10 (0.42) F10CFTRPRSS1
SCHEMBL13626567 0.71 F10 (0.52) F10CFTR

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