SCHEMBL7553322

SCHEMBL7553322

Nc1ncnc2cc(CC(c3cc4ccc(Br)cc4s3)N3CCNCC3=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.44
HTT P42858 1/20 0.31
RET P07949 1/20 0.31
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL7451661 0.85 F10 (0.46) F10
SCHEMBL7554775 0.83 F10 (0.38) F10
SCHEMBL7372560 0.81 F10 (0.42) F10
SCHEMBL1653691 0.77 F10 (0.48) F10
SCHEMBL7369284 0.76 F10 (0.45) F10
SCHEMBL7370636 0.76 F10 (0.40) F10
SCHEMBL7588660 0.75 F10 (0.46) F10
SCHEMBL27527040 0.74 F10 (0.40) F10
SCHEMBL7376327 0.74 F10 (0.39) F10
SCHEMBL7409241 0.74 F10 (0.40) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed