SCHEMBL7277355

SCHEMBL7277355

CN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C(=N)N)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.44
ITGA2B P08514 14/20 0.44
NQO2 P16083 1/20 0.32

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
Hydrochloric Acid SCHEMBL7286183 0.90 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7275494 0.85 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7338546 0.84 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7282034 0.84 ITGB3 (0.62) ITGB3ITGA2BNQO2
SCHEMBL7278142 0.82 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7283465 0.82 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7277414 0.82 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7284015 0.82 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7277614 0.80 ITGB3 (0.71) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7275034 0.79 BCHE (0.36) ITGB3ITGA2B

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