SCHEMBL670338

SCHEMBL670338

CCCc1c2c(nn1C)C(=O)[N]C(c1cc(-c3nc(C)c[nH]3)ccc1OCC)=N2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.36
HDAC6 Q9UBN7 9/20 0.36
HDAC1 Q13547 8/20 0.36
HDAC2 Q92769 3/20 0.36
PDE6C P51160 1/20 0.34
KMT2A Q03164 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7450300 0.87 PDE5A (0.41) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL5078828 0.82 PDE5A (0.33) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL15111167 0.77 PDE5A (0.49) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL5201813 0.73 NPSR1 (0.41) PDE5APDE6CKMT2AHPGD
SCHEMBL3453681 0.73 PDE5A (0.53) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL1913406 0.71 PDE5A (0.55) PDE5APDE6CKMT2AMEN1ALDH1A1
SCHEMBL7450974 0.71 PDE5A (0.45) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL7368938 0.71 KMT2A (0.30) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL7449440 0.70 PDE5A (0.56) PDE5AHDAC6HDAC1HDAC2PDE6C
SCHEMBL6249380 0.68 PDE5A (0.42) PDE5AHDAC6HDAC1HDAC2PDE6C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP disclosed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO disclosed