SCHEMBL8544830

SCHEMBL8544830

O=C(Nc1[c]cccc1)c1cccc(NC2=NCCCN2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGAV P06756 20/20 0.60
ITGA2B P08514 19/20 0.60
ITGB1 P05556 10/20 0.60
ITGB5 P18084 10/20 0.60
ITGB6 P18564 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
SCHEMBL8541993 0.80 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538625 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL30073956 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6225428 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
Bicarbonate SCHEMBL7762070 0.76 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495439 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495445 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7345191 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2833888 0.73 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2833606 0.72 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGB5

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed