SCHEMBL13894058

SCHEMBL13894058

CC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1c(N)cc2c(c1Cl)CCN(C(=O)c1ccc(N)cc1)C2

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.55
▸ ICAM1 P05362 20/20 0.55
▸ ITGAL P20701 20/20 0.55

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
SCHEMBL13813629 0.81 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL23153574 0.76 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL18868506 0.69 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL18362364 0.69 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL10129691 0.68 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL13894130 0.68 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL13894061 0.67 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL12459907 0.67 HPGDS (0.39) —
SCHEMBL879397 0.67 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL10129831 0.67 ITGB2 (0.81) ITGB2ICAM1ITGAL

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
WO-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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