SCHEMBL13665313

SCHEMBL13665313

O=C[C@H](CCCNS(=O)#CO)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.58
▸ ICAM1 P05362 20/20 0.58
▸ ITGAL P20701 20/20 0.58
▸ CYP2C9 P11712 1/20 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
SCHEMBL13662074 0.87 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662072 0.79 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868509 0.79 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296915 0.79 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867979 0.79 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12507169 0.78 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13665399 0.78 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13667993 0.78 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157816 0.78 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867976 0.78 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9

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-2009128932-A1 DELIVERY OF LFA-1 ANTAGONISTS TO THE GASTROINTESTINAL SYSTEM SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
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