SCHEMBL7144472

SCHEMBL7144472

NCCC(=O)N1CCC2(CC1)CCN(C(=O)CCC(NS(=O)(=O)c1ccccc1)C(=O)O)CC2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.62
ITGA2B P08514 10/20 0.62
MMP9 P14780 9/20 0.52
MMP2 P08253 8/20 0.52
MMP8 P22894 2/20 0.51
MMP13 P45452 1/20 0.51
ADAMTS4 O75173 1/20 0.51
ITGAV P06756 1/20 0.48
MMP12 P39900 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL7149068 0.88 ITGB3 (0.58) ITGB3ITGA2BMMP9MMP2MMP8
Acetic Acid SCHEMBL7153863 0.87 ITGB3 (0.64) ITGB3ITGA2BMMP9MMP2MMP8
Hydrochloric Acid SCHEMBL6622253 0.86 ITGB3 (0.55) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6620316 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP9MMP2ITGAV
Hydrochloric Acid SCHEMBL6622243 0.86 ITGB3 (0.55) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6620319 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP9MMP2ITGAV
Hydrochloric Acid SCHEMBL6622249 0.86 ITGB3 (0.55) ITGB3ITGA2BMMP9MMP2MMP8
Hydrochloric Acid SCHEMBL6633329 0.86 ITGB3 (0.55) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL7147856 0.82 MMP2 (0.58) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL7357056 0.79 ITGB3 (0.53) ITGB3ITGA2BMMP9MMP2MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528534-B2 Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes MILLENNIUM PHARMACEUTICALS, INC. 2003-03-04 US disclosed