SCHEMBL8536842

SCHEMBL8536842

NC(C=O)(c1cc[c]cc1)c1cc(NC2=NCCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.41
ADRA2A P08913 5/20 0.39
ITGB3 P05106 5/20 0.33
ITGAV P06756 5/20 0.33
ITGA2B P08514 4/20 0.33
ITGB1 P05556 2/20 0.33
ITGB5 P18084 2/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
KMT2A Q03164 1/20 0.32
CFB P00751 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL8537009 0.94 PTGIR (0.47) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL8536838 0.69 PTGIR (0.34) PTGIRADRA2AITGB3ITGAVITGA2B
SCHEMBL8542609 0.64 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542616 0.63 ITGB3 (0.41) PTGIRITGB3ITGAVITGA2BITGB1
SCHEMBL8542620 0.63 ITGB3 (0.40) PTGIRITGB3ITGAVITGA2BITGB1
SCHEMBL4778297 0.63 ADRA2A (0.72) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL8537007 0.62 PTGIR (0.39) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL11283477 0.60 ADRA2A (0.61) PTGIRADRA2AADRA2BADRA2CCFB
SCHEMBL26703812 0.60 PTGIR (0.48) PTGIRADRA2A
SCHEMBL7752171 0.59 ITGB3 (0.50) PTGIRADRA2AITGB3ITGAVITGA2B

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