SCHEMBL22898566

SCHEMBL22898566

CCC1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]1(c1ccncc1)c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 13/20 0.39
▸ ITGB2 P05107 6/20 0.39
▸ ICAM1 P05362 6/20 0.39
▸ ELANE P08246 1/20 0.38
▸ AR P10275 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL22898677 1.00 ITGAL (0.39) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898568 0.94 ITGAL (0.42) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898494 0.86 ITGAL (0.40) ITGALITGB2ICAM1ELANE
SCHEMBL22898693 0.86 ITGAL (0.40) ITGALITGB2ICAM1ELANE
SCHEMBL22898682 0.83 ITGAL (0.36) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898501 0.83 ITGAL (0.36) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898558 0.81 ITGAL (0.41) ITGALITGB2ICAM1ELANE
SCHEMBL22898668 0.81 PRCP (0.35) —
SCHEMBL22898575 0.81 PRCP (0.35) —
SCHEMBL22898598 0.79 ITGAL (0.44) ITGALITGB2ICAM1ELANE

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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