SCHEMBL7338126

SCHEMBL7338126

O=C(CN1CCC[C@@H](CCc2ccncc2)C1=O)NC[C@@H](C(=O)O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.52
ITGA2B P08514 4/20 0.52
ITGAV P06756 7/20 0.49
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ACE P12821 1/20 0.37
KCNA5 P22460 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC1A2 P43004 1/20 0.35

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
Hydrochloric Acid SCHEMBL7338692 0.99 ITGB3 (0.51) ITGB3ITGA2BITGAVADRB2ADRB1
SCHEMBL7369685 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVKCNA5SLC1A2
Hydrochloric Acid SCHEMBL7370233 0.89 ITGB3 (0.47) ITGB3ITGA2BITGAVKCNA5SLC1A2
SCHEMBL7448188 0.86 ITGB3 (0.46) ITGB3ITGA2BITGAVADRB2ADRB1
SCHEMBL8617240 0.77 ITGB3 (0.39) ITGB3ITGA2BITGAVLMNASLC1A2
SCHEMBL7365261 0.77 ITGB3 (0.47) ITGB3ITGA2BITGAVKCNA5LMNA
SCHEMBL7405338 0.76 ACE (0.56) ITGB3ITGA2BITGAVACE
SCHEMBL7320593 0.76 ACE (0.56) ITGB3ITGA2BITGAVACE
SCHEMBL8830082 0.74 ITGB3 (0.63) ITGB3ITGA2BITGAVLMNA
SCHEMBL7345393 0.74 ITGB3 (0.46) ITGB3ITGA2BITGAVACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP claimed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP claimed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO claimed
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed