SCHEMBL2936381

SCHEMBL2936381

COC(=O)c1ccccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C(CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)NCCCCOc1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.40
PTPRA P18433 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PTPN2 P17706 1/20 0.35

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
SCHEMBL3222948 0.97 PTPN1 (0.41) PTPN1CNR1CNR2DRD2DRD3
SCHEMBL3216170 0.96 PTPN1 (0.40) PTPN1CNR1CNR2DRD2DRD3
SCHEMBL2936384 0.94 PTPN1 (0.39) PTPN1CNR1CNR2DRD2DRD3
SCHEMBL4784709 0.92 PTPN1 (0.45) PTPN1PTPRACNR1CNR2PTPN2
SCHEMBL3216067 0.88 CNR1 (0.42) PTPN1CNR1CNR2DRD2DRD3
SCHEMBL3220485 0.87 PTPN1 (0.43) PTPN1CNR1CNR2
SCHEMBL3217932 0.86 CNR1 (0.41) PTPN1PTPRACNR1CNR2PTPN2
SCHEMBL3216194 0.85 PTPN1 (0.42) PTPN1KDM4ELMNAMEN1KMT2A
SCHEMBL2929598 0.85 PTPN1 (0.44) PTPN1CNR1CNR2DRD2DRD3
SCHEMBL2930641 0.85 PTPN1 (0.44) PTPN1CNR1CNR2DRD2DRD3

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed