SCHEMBL6379876

SCHEMBL6379876

O=C(O)c1ccc2c(cnn2CCCNc2ccccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.65
▸ ITGAV P06756 18/20 0.65
▸ ITGA2B P08514 16/20 0.65
▸ ITGB5 P18084 1/20 0.46
▸ KDM4D Q6B0I6 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
SCHEMBL4960429 0.88 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL14289015 0.86 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5
SCHEMBL7262992 0.80 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL7980563 0.80 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL4958798 0.79 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL7355414 0.78 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL8687056 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7969300 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7985909 0.78 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL7969149 0.77 ITGB3 (0.91) ITGB3ITGAVITGA2B

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-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 — — US disclosed
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