SCHEMBL8659258

SCHEMBL8659258

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCCCN1CCN(C(=N)N)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
GLA P06280 1/20 0.30

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
SCHEMBL8657859 0.97 ITGB3 (0.32) ITGB3ITGA2BGLA
SCHEMBL8659526 0.96 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL8655707 0.93 MAPK1 (0.34) ITGB3ITGA2B
SCHEMBL8657958 0.93 ITGB3 (0.32) ITGB3ITGA2BGLA
SCHEMBL8655443 0.92 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8655432 0.91 TPSAB1 (0.33) ITGB3ITGA2B
SCHEMBL8655222 0.91 MAPK1 (0.34) ITGB3ITGA2B
SCHEMBL8655681 0.89 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL8658988 0.89 SMN1; SMN2 (0.38)
SCHEMBL8656871 0.89 ITGB3 (0.32) ITGB3ITGA2B

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed