SCHEMBL7589575

SCHEMBL7589575

CCOC(=O)C(C(=O)O)N1CCC(CC2=CC=C3CCCNC3N2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7589226 0.85 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4
SCHEMBL7575967 0.73 SLC6A2 (0.33) SLC6A2SLC6A3SLC6A4
SCHEMBL8479508 0.69 ITGAV (0.49)
SCHEMBL8479505 0.64 ITGAV (0.49)
SCHEMBL20589146 0.63 DPP7 (0.41) SLC6A2SLC6A3L3MBTL1
SCHEMBL8483640 0.60 ITGAV (0.47)
SCHEMBL10505583 0.59 ALDH1A1 (0.61) L3MBTL1
SCHEMBL9023631 0.58 ITGB3 (0.47)
SCHEMBL4577442 0.58 L3MBTL1 (0.63) L3MBTL1
SCHEMBL10649966 0.57 PKM (0.43)

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-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 EP disclosed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 WO disclosed