SCHEMBL7337541

SCHEMBL7337541

O=C(O)CC1CCCN(CCCCc2ncc[nH]2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ACE P12821 2/20 0.38
ITGAV P06756 1/20 0.35
HTR2B P41595 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL2567758 0.73 ALDH1A1 (0.49) ACE
SCHEMBL7371673 0.72 ITGB3 (0.51) ITGB3ITGA2BACE
SCHEMBL2565333 0.70 ACE (0.49) ITGB3ITGA2BACE
SCHEMBL7449486 0.67 TBXAS1 (0.56) TBXAS1FNTAFNTBHTR2BALOX15
SCHEMBL4655987 0.67 TBXAS1 (0.97) TBXAS1
SCHEMBL11009198 0.66 TBXAS1 (1.00) TBXAS1
SCHEMBL7051672 0.66 TBXAS1 (1.00) TBXAS1
SCHEMBL1460951 0.66 TBXAS1 (1.00) TBXAS1
SCHEMBL28703772 0.66 TBXAS1 (1.00) TBXAS1
SCHEMBL1091991 0.66 TBXAS1 (1.00) TBXAS1

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-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed