SCHEMBL22296836

SCHEMBL22296836

Cc1c(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](N)C(=O)O)c3Cl)C2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ ITGB2 P05107 19/20 0.51
▸ ICAM1 P05362 19/20 0.51
▸ ITGAL P20701 19/20 0.51

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
SCHEMBL18362300 0.90 ITGB2 (0.56) NPC1ITGB2ICAM1ITGAL
SCHEMBL18867795 0.83 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL13821875 0.83 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL17991453 0.83 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL13813600 0.82 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL13813573 0.80 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL4756039 0.80 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL19157817 0.80 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL23992594 0.79 ITGB2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL18868524 0.76 ITGB2 (0.53) 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-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
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