SCHEMBL8537009

SCHEMBL8537009

NC(C=O)(c1cc[c]cc1)c1cc(NC2=NCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.47
ADRA2A P08913 14/20 0.45
ADRA2B P18089 13/20 0.39
ADRA2C P18825 13/20 0.39
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL8536842 0.94 PTGIR (0.41) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL4778297 0.69 ADRA2A (0.72) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL8537007 0.68 PTGIR (0.39) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL5804609 0.65 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL7373771 0.64 ITGB3 (0.47) PTGIRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7844560 0.63 ITGB3 (0.47) PTGIRADRA2AADRA2BADRA2C
SCHEMBL27662821 0.63 PTGIR (0.60) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL9725295 0.62 ADRA2A (1.00) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL13024513 0.61 ADRA2A (0.79) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL5656945 0.60 PTGIR (0.59) PTGIRADRA2AADRA2BADRA2C

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