Dyphylline

Dyphylline

SCHEMBL5194181

Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PDE3APDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Dyphylline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.90
SMN1; SMN2 Q16637 4/20 0.90
POLB P06746 3/20 0.90
ADORA2B P29275 5/20 0.62
PIK3CD O00329 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CNR1 P21554 1/20 0.62
ACHE P22303 1/20 0.62
ADORA2A P29274 1/20 0.62
ADORA1 P30542 1/20 0.62
NTSR1 P30989 1/20 0.62
MC3R P41968 1/20 0.62
NOTUM Q6P988 1/20 0.62
SIRT3 Q9NTG7 1/20 0.62
GDA Q9Y2T3 1/20 0.62
NR2E1 Q9Y466 1/20 0.62
RXFP1 Q9HBX9 3/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.54

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
Dyphylline SCHEMBL8192 0.95 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BRXFP1
Dyphylline SCHEMBL1816552 0.95 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BRXFP1
Dyphylline SCHEMBL123781 0.95 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BRXFP1
Dyphylline SCHEMBL27937456 0.94 LMNA (0.97) LMNASMN1; SMN2POLBADORA2BRXFP1
Dyphylline SCHEMBL28299816 0.90 LMNA (0.90) LMNASMN1; SMN2POLBADORA2BRXFP1
Dyphylline SCHEMBL13724353 0.90 LMNA (0.90) LMNASMN1; SMN2POLBADORA2BRXFP1
Dyphylline SCHEMBL5198235 0.89 LMNA (0.75) LMNASMN1; SMN2POLBADORA2BPIK3CD
Dyphylline SCHEMBL9007973 0.88 SMN1; SMN2 (0.86) LMNASMN1; SMN2POLBADORA2BRXFP1
SCHEMBL5265296 0.85 LMNA (0.81) LMNASMN1; SMN2POLBADORA2BRXFP1
SCHEMBL10063431 0.84 LMNA (0.80) LMNASMN1; SMN2POLBADORA2BRXFP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315499-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS STRAKAN INT LTD (GB) 2007-09-05 EP disclosed
US-20060198883-A1 Compositions and methods for the treatment of anorectal disorders CELLEGY PHARMACEUTICALS, INC. (US) 2006-09-07 US disclosed
US-6627632-B2 Compositions and methods for the treatment of anorectal disorders CELLEGY PHARMACEUTICALS, INC. 2003-09-30 US disclosed
WO-2003075851-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS CELLEGY PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
EP-1315499-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS Cellegy Pharmaceuticals, Inc (US) 2003-06-04 EP disclosed
WO-2002009714-A9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS CELLEGY PHARMA INC (US) 2003-03-06 WO disclosed
US-20020187990-A1 Compositions and methods for the treatment of anorectal disorders CELLEGY PHARMACEUTICALS, INC. 2002-12-12 US disclosed
US-20020072522-A1 Compositions and methods for the treatment of anorectal disorders STRAKAN INTERNATIONAL LIMITED (BM) 2002-06-13 US disclosed
WO-2002009714-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS CELLEGY PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed