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SCHEMBL4557491

SCHEMBL4557491

CN(C)C(=O)c1c(F)cccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C(CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)NCCCCOc1cccc(O)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ PTPN1 P18031 12/20 0.37
▸ PTPN2 P17706 3/20 0.35
▸ PTPRA P18433 1/20 0.33

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
SCHEMBL2937650 0.96 PTPN1 (0.40) CNR1CNR2PTPN1PTPN2
SCHEMBL3929110 0.93 CNR1 (0.41) CNR1CNR2PTPN1
SCHEMBL3217932 0.91 CNR1 (0.41) CNR1CNR2PTPN1PTPN2PTPRA
SCHEMBL2930479 0.89 CNR1 (0.41) CNR1CNR2PTPN1PTPN2PTPRA
SCHEMBL3201537 0.86 CNR1 (0.43) CNR1CNR2PTPN1
SCHEMBL3220485 0.86 PTPN1 (0.43) CNR1CNR2PTPN1
SCHEMBL2930481 0.83 CNR1 (0.39) CNR1CNR2PTPN1
SCHEMBL2933664 0.83 CNR1 (0.46) CNR1CNR2PTPN1
SCHEMBL3216067 0.83 CNR1 (0.42) CNR1CNR2PTPN1
SCHEMBL4127080 0.83 CNR1 (0.49) CNR1CNR2PTPN1

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-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 — — EP disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 — — WO disclosed