SCHEMBL21784685

SCHEMBL21784685

c1cc2c(nc1CCOCC[C@@H]1CCNC1)NCCC2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.48
ITGB6 P18564 15/20 0.48
ITGB3 P05106 11/20 0.44
ITGB5 P18084 3/20 0.44
ITGB1 P05556 1/20 0.44

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
Hydrochloric Acid SCHEMBL28568780 0.99 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL21774624 0.99 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL21774625 0.99 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL28568782 0.99 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL31072017 0.99 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL19384679 0.88 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL17640902 0.88 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20305074 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20305071 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21774615 0.84 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1

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
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed