SCHEMBL8538800

SCHEMBL8538800

O=CNCc1[c]cccc1-c1cccc(NC2=NCCCN2)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.39
ITGAV P06756 18/20 0.39
ITGA2B P08514 14/20 0.39
ITGB1 P05556 8/20 0.39
ITGB5 P18084 8/20 0.39

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
SCHEMBL8539100 0.94 ADRA2A (0.39) ITGB3ITGAV
SCHEMBL8536838 0.86 PTGIR (0.34) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8540200 0.83 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537007 0.80 PTGIR (0.39)
SCHEMBL8542532 0.79 TLR4 (0.36)
SCHEMBL8538619 0.66 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541934 0.65 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538377 0.65 HTR1D (0.42) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8544830 0.64 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL11283477 0.64 ADRA2A (0.61)

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