SCHEMBL21780644

SCHEMBL21780644

CC1CCc2ccc(CCCCO[C@@H]3CCN(C(C(=O)OC(C)(C)C)c4cc(F)ccc4C4CCCCO4)C3)nc2N1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.36
ITGB6 P18564 16/20 0.36
ITGB3 P05106 1/20 0.31

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
SCHEMBL21767798 1.00 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21767799 1.00 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21767515 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21784731 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21784732 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL23426177 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21784655 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21784653 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21767512 0.92 ITGAV (0.36) ITGAVITGB6ITGB3
SCHEMBL21784739 0.91 ITGAV (0.36) ITGAVITGB6ITGB3

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-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed