SCHEMBL13848544

SCHEMBL13848544

CCc1c(O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
ITGB8 P26012 1/20 0.42
RPS6KB1 P23443 19/20 0.38
AKT1 P31749 19/20 0.38

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
SCHEMBL12348224 0.93 ITGAV (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL8354533 0.90 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2231372 0.89 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2231362 0.89 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2233704 0.84 ITGAV (0.39) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12348309 0.82 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2411809 0.82 ITGAV (0.51) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2234185 0.81 ITGAV (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2232298 0.80 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13848509 0.80 RPS6KB1 (0.44) ITGB3ITGB1ITGAVITGA5ITGB5

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-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed