SCHEMBL8620398

SCHEMBL8620398

CCOC(=O)[C@H](CN(C(C)=O)N1CCC[C@@H](CCc2ccncc2)C1=O)c1ccccc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 1/20 0.32
ACE P12821 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.31
KCNQ2 O43526 1/20 0.30

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
SCHEMBL8621139 0.85 ITGB3 (0.37) ALDH1A1MAPK1NPSR1LMNAMEN1
Hydrochloric Acid SCHEMBL8619234 0.84 ITGB3 (0.36) ALDH1A1MAPK1NPSR1LMNAMEN1
SCHEMBL7371949 0.83 ACE (0.35) ALDH1A1CYP19A1ACELMNAMEN1
SCHEMBL7374011 0.79 DPP4 (0.36) ALDH1A1CYP19A1SMN1; SMN2OPRM1
SCHEMBL8619349 0.78 ACE2 (0.36) CYP19A1
Hydrochloric Acid SCHEMBL8621091 0.78 ITGB3 (0.34) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8103481 0.77 ITGB3 (0.35) ALDH1A1CYP19A1ACEMEN1KMT2A
SCHEMBL8618344 0.75 ITGB3 (0.35)
SCHEMBL7375308 0.75 ITGB3 (0.32) ACE
SCHEMBL8619325 0.75 MC4R (0.38) MC4RALDH1A1CYP19A1MEN1KMT2A

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