SCHEMBL7376952

SCHEMBL7376952

O=C(O)CCCNC(=O)c1ccc(OCCCC2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.60
▸ ITGA2B P08514 16/20 0.60
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL14621456 0.86 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL9215011 0.81 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL12735814 0.81 PLK1 (0.56) ITGB3ITGA2B
SCHEMBL12718932 0.81 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7372423 0.80 GPR119 (0.61) —
SCHEMBL833572 0.78 POLB (0.53) ITGB3ITGA2B
SCHEMBL7739629 0.78 NPC1 (0.67) MAPK1
SCHEMBL12735798 0.77 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL2555567 0.77 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL14621457 0.76 ITGB3 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 — — US disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 — — WO disclosed
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