SCHEMBL7277666

SCHEMBL7277666

N=C(N)N1CCc2ccc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 4/20 0.41
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
ITGAV P06756 2/20 0.40
HTR1A P08908 2/20 0.37
NAMPT P43490 2/20 0.36

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
SCHEMBL7275263 0.97 TMPRSS2 (0.41) TMPRSS2ITGB3ITGA2BITGAVHTR1A
SCHEMBL9251785 0.97 TMPRSS2 (0.41) TMPRSS2ITGB3ITGA2BITGAVHTR1A
SCHEMBL7283983 0.94 ITGB3 (0.43) TMPRSS2ITGB3ITGA2BITGAVNAMPT
SCHEMBL7275634 0.92 ITGB3 (0.42) TMPRSS2ITGB3ITGA2BITGAVNAMPT
SCHEMBL7275786 0.91 ITGB3 (0.42) TMPRSS2ITGB3ITGA2BITGAVNAMPT
SCHEMBL7275068 0.89 ITGB3 (0.40) TMPRSS2ITGB3ITGA2BITGAVNAMPT
SCHEMBL7286943 0.88 ITGB3 (0.42) TMPRSS2ITGB3ITGA2BITGAV
SCHEMBL7285483 0.88 NR1H2 (0.41) ITGB3ITGA2BHTR1ANAMPT
SCHEMBL7277096 0.87 ITGB3 (0.43) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7276957 0.85 ITGB3 (0.41) ITGB3ITGA2BITGAVNAMPT

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 3 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 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