SCHEMBL7284188

SCHEMBL7284188

N=C(N)c1cnc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cn1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.71
ITGA2B P08514 2/20 0.71
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35
IRAK4 Q9NWZ3 11/20 0.35
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL7283795 1.00 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAIRAK4
Hydrochloric Acid SCHEMBL7284278 0.89 ITGB3 (0.56) ITGB3ITGA2BIRAK4NAAA
Hydrochloric Acid SCHEMBL7278520 0.89 ITGB3 (0.56) ITGB3ITGA2BIRAK4NAAA
SCHEMBL7275264 0.89 ITGB3 (0.76) ITGB3ITGA2BPPARDPPARAIRAK4
Hydrochloric Acid SCHEMBL7285424 0.87 ITGB3 (0.54) ITGB3ITGA2BIRAK4NAAA
SCHEMBL7277434 0.87 ITGB3 (0.80) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7284309 0.87 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7275425 0.83 ITGB3 (0.81) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7277088 0.83 ITGB3 (0.78) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7275588 0.83 ITGB3 (0.81) ITGB3ITGA2BPPARDPPARAIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP claimed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US claimed
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
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