SCHEMBL7275068

SCHEMBL7275068

N=C(N)N1CCc2ccc(C(=O)NCC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
TMPRSS2 O15393 3/20 0.40
CHRM4 P08173 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGAV P06756 2/20 0.38
NAMPT P43490 3/20 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
SCHEMBL7275634 0.97 ITGB3 (0.42) ITGB3ITGA2BTMPRSS2CHRM4SMN1; SMN2
SCHEMBL7275263 0.92 TMPRSS2 (0.41) ITGB3ITGA2BTMPRSS2ITGAV
SCHEMBL9251785 0.92 TMPRSS2 (0.41) ITGB3ITGA2BTMPRSS2ITGAV
SCHEMBL7277096 0.92 ITGB3 (0.43) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7275242 0.90 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL7277666 0.89 TMPRSS2 (0.41) ITGB3ITGA2BTMPRSS2ITGAVNAMPT
SCHEMBL7276957 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7275338 0.87 ITGB3 (0.40) ITGB3ITGA2BCHRM4SMN1; SMN2NAMPT
SCHEMBL7277328 0.87 ITGB3 (0.49) ITGB3ITGA2BCHRM4SMN1; SMN2ITGAV
SCHEMBL7285724 0.85 ITGB3 (0.41) ITGB3ITGA2BCHRM4SMN1; SMN2NAMPT

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