SCHEMBL7277794

SCHEMBL7277794

CN(C)C(=O)CN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ncc(C(=N)N)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
PPARD Q03181 12/20 0.34
PPARA Q07869 12/20 0.34
TMPRSS15 P98073 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
SCHEMBL7276253 0.91 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7277402 0.91 ITGB3 (0.50) ITGB3ITGA2BPPARDPPARA
Hydrochloric Acid SCHEMBL7284987 0.91 ITGB3 (0.37) ITGB3ITGA2BTMPRSS15
SCHEMBL7275066 0.84 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7277654 0.84 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7286641 0.83 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7286629 0.83 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7277653 0.82 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7275114 0.82 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7282036 0.81 MMP2 (0.41) ITGB3ITGA2BPPARDPPARA

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