SCHEMBL7275900

SCHEMBL7275900

N=C(N)c1cnc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3c3ccccc3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
FFAR4 Q5NUL3 4/20 0.33
PPARD Q03181 2/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NR1D1 P20393 1/20 0.32
XDH P47989 1/20 0.32
CHEK2 O96017 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7275881 0.91 ITGB3 (0.59) ITGB3ITGA2BFFAR4PPARDFFAR1
Hydrochloric Acid SCHEMBL7285291 0.91 ITGB3 (0.40) ITGB3ITGA2BFFAR4
Water SCHEMBL8882684 0.90 ITGB3 (0.58) ITGB3ITGA2BFFAR4PPARDFFAR1
SCHEMBL7277402 0.85 ITGB3 (0.50) ITGB3ITGA2BPPARDPPARAMEN1
SCHEMBL7287049 0.85 ITGB3 (0.53) ITGB3ITGA2BPPARDPPARA
SCHEMBL7274581 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7272584 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7276861 0.83 ITGB3 (0.55) ITGB3ITGA2BFFAR4PPARDFFAR1
SCHEMBL7277206 0.83 ITGB3 (0.55) ITGB3ITGA2BFFAR4PPARDFFAR1
SCHEMBL7281058 0.82 ITGB3 (0.54) ITGB3ITGA2BFFAR4PPARDFFAR1

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-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed