SCHEMBL7344890

SCHEMBL7344890

CCCc1nn(C)c2c(=O)[nH]c(-c3cccc4c3OCC4)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.63
PDE1A P54750 2/20 0.60
PDE1B Q01064 2/20 0.60
PDE1C Q14123 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
PDE3B Q13370 4/20 0.57
PDE3A Q14432 4/20 0.57
MTOR P42345 1/20 0.50
PDE6C P51160 3/20 0.49
PDE2A O00408 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCC5 O15440 1/20 0.49
PDE6D O43924 1/20 0.49
PDE8A O60658 1/20 0.49
PDE9A O76083 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL7343294 0.82 KMT2A (0.53) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7334441 0.79 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL31607151 0.77 PDE5A (0.76) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1529 0.77 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL18577846 0.77 PDE5A (0.76) PDE5APDE1APDE1BPDE1CKMT2A
Oxirane SCHEMBL8190387 0.76 PDE5A (0.64) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL3316795 0.76 PDE5A (0.82) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL31174349 0.75 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1202 0.75 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6389085 0.74 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A

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
EP-1057829-B1 Novel compounds and pharmaceutical compositions containing the same JORDANIAN PHARMACEUTICAL MFG A (JO) 2002-11-20 EP disclosed
US-6242444-B1 5-(2,3-DIHYDRO-5-(4-METHYLPIPERAZIN-1-YLSULFONYL)-7-BENZOFURYL )-1-METHYL-3-PROPYL-6,7-DIHYDRO-1H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE, FOR EXAMPLE; TREATMENT OF INTER ALIA ERECTILE DYSFUNCTION. THE JORDANIAN PHARMACEUTICAL MANUFACTURING AND MEDICAL EQUIPMENT CO., LTD. (JO) 2001-06-05 US disclosed
EP-1057829-A1 Novel compounds and pharmaceutical compositions containing the same The Jordanian Pharmaceutical Manufacturing and Medical Equipment Co.Ltd. (JO) 2000-12-06 EP disclosed