SCHEMBL23176450

SCHEMBL23176450

N[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3cccnc3o1)C2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.56
▸ ICAM1 P05362 19/20 0.56
▸ ITGAL P20701 19/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL13894109 0.91 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL18867795 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL12500613 0.81 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL12063527 0.81 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL16270928 0.80 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL22296809 0.80 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL23153576 0.80 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL19158602 0.80 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL25912577 0.79 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL17992459 0.79 ITGB2 (0.55) 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
EP-3797775-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY Novartis AG (CH) 2021-03-31 — — EP disclosed
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