SCHEMBL8621118

SCHEMBL8621118

CC(=O)N(C[C@@H](C)C(=O)O)N1CCC[C@@H](CCc2ccnc(N)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
F11 P03951 15/20 0.39
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL7365778 0.89 ITGB3 (0.45) ITGB3ITGA2BF11TPSAB1TPSD1
SCHEMBL8103481 0.87 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7344183 0.80 ITGB3 (0.45) ITGB3ITGA2BF11TPSAB1TPSD1
Hydrochloric Acid SCHEMBL7368927 0.77 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL8619349 0.76 ACE2 (0.36)
SCHEMBL7340777 0.74 ITGB3 (0.70) ITGB3ITGA2BF11GABRPGABRD
SCHEMBL7340771 0.74 ITGB3 (0.70) ITGB3ITGA2BF11GABRPGABRD
Hydrochloric Acid SCHEMBL8622674 0.73 ITGB3 (0.69) ITGB3ITGA2BF11GABRPGABRD
Hydrochloric Acid SCHEMBL8622679 0.73 ITGB3 (0.69) ITGB3ITGA2BF11GABRPGABRD
SCHEMBL8622174 0.73 ENO1 (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed