SCHEMBL7714898

SCHEMBL7714898

CCCCN1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.86
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
ATM Q13315 1/20 0.68

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
SCHEMBL6784109 1.00 PDE5A (0.86) PDE5AMEN1KMT2AATM
SCHEMBL7714894 1.00 PDE5A (0.86) PDE5AMEN1KMT2AATM
SCHEMBL1326138 0.94 PDE5A (0.85) PDE5A
SCHEMBL1326139 0.94 PDE5A (0.85) PDE5A
SCHEMBL1326142 0.94 PDE5A (0.85) PDE5A
SCHEMBL7683504 0.93 PDE5A (0.84) PDE5AKMT2A
SCHEMBL7683497 0.93 PDE5A (0.84) PDE5AKMT2A
SCHEMBL7433397 0.93 PDE5A (0.84) PDE5AKMT2A
SCHEMBL6782139 0.93 PDE5A (0.84) PDE5A
SCHEMBL6782147 0.93 PDE5A (0.84) PDE5A

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
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed