SCHEMBL9055294

SCHEMBL9055294

O=C(O)O[C@@H]1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGAV P06756 4/20 0.46
ITGA2B P08514 4/20 0.46
P2RX7 Q99572 5/20 0.40
F2 P00734 4/20 0.39
CCR10 P46092 1/20 0.38

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
SCHEMBL9055118 0.92 ITGB3 (0.42) ITGB3ITGAVITGA2BP2RX7F2
SCHEMBL9055403 0.91 F2 (0.44) ITGB3ITGAVITGA2BP2RX7F2
SCHEMBL9055290 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BP2RX7F2
SCHEMBL9056467 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BF2
SCHEMBL9058855 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9058775 0.86 F2 (0.56) ITGB3ITGAVITGA2BF2
SCHEMBL9055638 0.86 ITGB3 (0.41) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055048 0.85 F2 (0.53) ITGB3ITGAVITGA2BP2RX7F2
SCHEMBL9055686 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9056130 0.83 F2 (0.41) ITGB3ITGAVITGA2BP2RX7F2

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-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed