SCHEMBL7555945

SCHEMBL7555945

Nc1ncnc2cc(Cc3c(CN4CCNCC4=O)sc4ccccc34)ccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.46
HTR2C P28335 1/20 0.33
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
GPR4 P46093 1/20 0.30
KCNH2 Q12809 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
SCHEMBL1651553 0.82 F10 (0.56) F10KCNH2
SCHEMBL7559434 0.82 F10 (0.49) F10PI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL4385581 0.81 F10 (0.56) F10KCNH2
SCHEMBL4397007 0.76 F10 (0.47) F10KCNH2
SCHEMBL7554775 0.69 F10 (0.38) F10HTR2C
SCHEMBL7402683 0.68 F10 (0.40) F10GPR4KCNH2
SCHEMBL7542716 0.68 F10 (0.56) F10
SCHEMBL1652537 0.68 F10 (0.66) F10
SCHEMBL1652680 0.68 F10 (0.34) F10
Hydrochloric Acid SCHEMBL7375541 0.67 F10 (0.55) 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