SCHEMBL8538084

SCHEMBL8538084

CC(N)=C(C(=O)OC(=O)c1cccc(NC2=NCCN2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.47
ITGAV P06756 12/20 0.47
ITGA2B P08514 12/20 0.47
ITGB1 P05556 6/20 0.47
ITGB5 P18084 6/20 0.47
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
PRSS1 P07477 2/20 0.42
F12 P00748 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PTGIR P43119 2/20 0.42
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
F10 P00742 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL8538622 0.94 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542421 0.86 PTGIR (0.39) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542569 0.81 ROCK1 (0.46)
SCHEMBL8542620 0.81 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.77 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.75 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538212 0.74 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538632 0.73 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538575 0.72 RAB9A (0.40)
SCHEMBL8541012 0.72 ITGB3 (0.55) 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 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