SCHEMBL22898558

SCHEMBL22898558

CCC1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 16/20 0.41
▸ ITGB2 P05107 8/20 0.41
▸ ICAM1 P05362 8/20 0.41
▸ ELANE P08246 1/20 0.41
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EBP Q15125 1/20 0.36

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
SCHEMBL22898568 0.87 ITGAL (0.42) ITGALITGB2ICAM1ELANEEBP
SCHEMBL22898581 0.84 ITGAL (0.43) ITGALITGB2ICAM1ELANETSHR
SCHEMBL22898655 0.84 ADRA2A (0.44) ITGALITGB2ICAM1ELANETSHR
SCHEMBL22898566 0.81 ITGAL (0.39) ITGALITGB2ICAM1ELANE
SCHEMBL22898677 0.81 ITGAL (0.39) ITGALITGB2ICAM1ELANE
SCHEMBL22898548 0.76 ITGAL (0.43) ITGALITGB2ICAM1ELANETSHR
SCHEMBL22898503 0.76 ITGAL (0.43) ITGALITGB2ICAM1ELANETSHR
SCHEMBL17347153 0.76 ITGAL (0.43) ITGALITGB2ICAM1ELANETSHR
SCHEMBL17347066 0.76 ITGAL (0.43) ITGALITGB2ICAM1ELANETSHR
SCHEMBL22898598 0.76 ITGAL (0.44) ITGALITGB2ICAM1ELANETSHR

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
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 — — EP disclosed
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