SCHEMBL2936384

SCHEMBL2936384

COC(=O)c1ccccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(OC(=O)c2ccccc2OCCCCNC(=O)CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3222948 0.96 PTPN1 (0.41) PTPN1CNR1CNR2POLBHTT
SCHEMBL2936381 0.94 PTPN1 (0.40) PTPN1CNR1CNR2BCHEACHE
SCHEMBL4784709 0.92 PTPN1 (0.45) PTPN1CNR1CNR2
SCHEMBL3216170 0.89 PTPN1 (0.40) PTPN1CNR1CNR2BCHEACHE
SCHEMBL3216067 0.87 CNR1 (0.42) PTPN1CNR1CNR2POLBHTT
SCHEMBL3220485 0.87 PTPN1 (0.43) PTPN1CNR1CNR2
SCHEMBL2929598 0.84 PTPN1 (0.44) PTPN1CNR1CNR2POLBHTT
SCHEMBL2930641 0.84 PTPN1 (0.44) PTPN1CNR1CNR2POLBHTT
SCHEMBL2933664 0.84 CNR1 (0.46) PTPN1CNR1CNR2POLBMAPT
SCHEMBL3217909 0.84 PTPN1 (0.45) PTPN1CNR1CNR2POLBHTT

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