SCHEMBL29207482

SCHEMBL29207482

O=C(O)CC(C1CCCCC1)n1ncc2cc(OCCc3ccc4c(n3)CCCN4)ccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.46
ITGAV P06756 20/20 0.46
ITGB5 P18084 3/20 0.45

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
SCHEMBL29207500 0.97 ITGB3 (0.47) ITGB3ITGAVITGB5
SCHEMBL29207479 0.89 ITGB3 (0.43) ITGB3ITGAVITGB5
SCHEMBL20141138 0.88 ITGB3 (0.60) ITGB3ITGAVITGB5
SCHEMBL29744042 0.88 ITGB3 (0.60) ITGB3ITGAVITGB5
SCHEMBL29207465 0.85 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL29207490 0.85 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29744192 0.85 ITGB3 (0.62) ITGB3ITGAVITGB5
SCHEMBL20139343 0.85 ITGB3 (0.62) ITGB3ITGAVITGB5
SCHEMBL29207534 0.84 ITGB3 (0.60) ITGB3ITGAVITGB5
SCHEMBL29207486 0.84 ITGB3 (0.54) ITGB3ITGAVITGB5

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
CN-117500791-A Compounds useful for treating liver diseases 阿比奥尼克斯制药公司 2024-02-02 CN disclosed