SCHEMBL20004284

SCHEMBL20004284

C/C=C1/c2ccc(OCCN(CC)CC)cc2C2(CCOCC2)c2oc3ccccc3c21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.79
XDH P47989 1/20 0.41

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
SCHEMBL898703 0.88 ALK (1.00) ALK
SCHEMBL29962757 0.88 ALK (1.00) ALK
SCHEMBL897903 0.82 ALK (0.90) ALK
SCHEMBL898715 0.81 ALK (0.87) ALK
SCHEMBL29962376 0.81 ALK (0.87) ALK
SCHEMBL29962839 0.80 ALK (0.85) ALK
SCHEMBL898644 0.80 ALK (0.85) ALK
SCHEMBL17434614 0.78 ALK (0.81) ALKXDH
SCHEMBL20004941 0.73 ALK (0.88) ALK
SCHEMBL898701 0.72 ALK (0.73) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed