SCHEMBL8409031

SCHEMBL8409031

N=C(N)c1ccc(-c2ccc(CN3CCC(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.55
ITGA2B P08514 12/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL8410226 0.93 LTA4H (0.51) ITGB3ITGA2BGAA
SCHEMBL8409280 0.86 CYP2D6 (0.55) ITGB3ITGA2BGAA
SCHEMBL9568173 0.86 CHRM4 (0.48) ITGB3ITGA2BGAA
SCHEMBL8949098 0.85 ITGB3 (0.48) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8410267 0.85 CHRM4 (0.48) ITGB3ITGA2BGAA
SCHEMBL8409945 0.84 GAA (0.49) GAA
SCHEMBL8410297 0.83 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL8863340 0.82 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8410566 0.82 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9568119 0.81 F2 (0.47) ITGB3ITGA2BGAA

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
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed