SCHEMBL8622174

SCHEMBL8622174

CC(=O)N(CC(C)C(=O)OCOC(=O)C(C)(C)C)N1CCC[C@@H](CCc2ccncc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 2/20 0.33
CHRM3 P20309 2/20 0.32
CYP19A1 P11511 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
SCHEMBL8618344 0.86 ITGB3 (0.35) ENO1CHRM3
SCHEMBL8619349 0.85 ACE2 (0.36) CYP19A1
SCHEMBL8103481 0.84 ITGB3 (0.35) CYP19A1
SCHEMBL8619473 0.80 FAAH (0.30)
Hydrochloric Acid SCHEMBL7368927 0.77 ITGB3 (0.34)
SCHEMBL7371949 0.75 ACE (0.35) CYP19A1
SCHEMBL7365778 0.75 ITGB3 (0.45)
SCHEMBL8621139 0.74 ITGB3 (0.37)
SCHEMBL8616984 0.74
SCHEMBL7347215 0.74

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