SCHEMBL8539100

SCHEMBL8539100

O=CNCc1[c]cccc1-c1cccc(NC2=NCCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.39
ADRA1A P35348 3/20 0.39
HTR7 P34969 1/20 0.39
ADRA2B P18089 6/20 0.39
ADRA2C P18825 6/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1B P35368 2/20 0.38
ACHE P22303 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
PTGIR P43119 1/20 0.37

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
SCHEMBL8538800 0.94 ITGB3 (0.39) ITGB3ITGAV
SCHEMBL8537007 0.85 PTGIR (0.39) ADRA2AADRA1AHTR7ADRA2BADRA2C
SCHEMBL8542532 0.81 TLR4 (0.36)
SCHEMBL8536838 0.80 PTGIR (0.34) ADRA2AITGB3ITGAVPTGIR
SCHEMBL8540200 0.77 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL8538377 0.70 HTR1D (0.42) ADRA2AADRA1AHTR7ADRA2BADRA2C
SCHEMBL11162946 0.70 NISCH (0.59) ADRA2AADRA1AHTR7ADRA2BADRA2C
SCHEMBL8538079 0.65 ITGB3 (0.48) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL6788672 0.64 ADRA2A (0.59) ADRA2AADRA1AHTR7ADRA2BADRA2C
SCHEMBL17887763 0.64 HTR1D (0.59) ADRA2AADRA1AADRA2BADRA2CADRA1D

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