SCHEMBL18868528

SCHEMBL18868528

Cc1cc(Cl)c(C(=O)NC(N/C(=N/N)NCCO)C(=O)O)c(Cl)c1CCNCCC(O)c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 1/20 0.40
▸ KYNU Q16719 1/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ ADRB3 P13945 4/20 0.32
▸ ADRB1 P08588 3/20 0.32
▸ S1PR1 P21453 1/20 0.31

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
SCHEMBL22296987 0.78 ITGAL (0.37) ITGAL
SCHEMBL18868588 0.77 ITGAL (0.39) ITGAL
SCHEMBL18868626 0.69 ITGAL (0.53) ITGALKYNUOPRK1ADRB3ADRB1
SCHEMBL18867996 0.68 ITGAL (0.53) ITGALKYNUOPRK1ADRB3ADRB1
SCHEMBL18868108 0.68 ITGAL (0.36) ITGAL
SCHEMBL23176604 0.68 ITGAL (0.46) ITGAL
SCHEMBL18868542 0.68 ITGAL (0.54) ITGALKYNUOPRK1ADRB3ADRB1
SCHEMBL10112626 0.67 ITGAL (0.65) ITGALKYNUOPRK1ADRB3ADRB1
SCHEMBL18867719 0.64 ITGAL (0.59) ITGALKYNUOPRK1ADRB3ADRB1
SCHEMBL12188990 0.63 ITGAL (0.64) ITGALKYNUOPRK1

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 2 patents. 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
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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