SCHEMBL6970720

SCHEMBL6970720

O=C(CNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)NCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.56
ITGA2B P08514 18/20 0.56
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP12 P39900 2/20 0.48
MMP14 P50281 2/20 0.48

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 SCHEMBL7951673 0.99 ITGB3 (0.56) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL6971795 0.95 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7952205 0.95 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL6974515 0.91 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950184 0.90 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950195 0.90 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7956076 0.90 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7955965 0.90 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL6966724 0.90 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL6963793 0.90 ITGB3 (0.59) 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
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP claimed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US claimed