SCHEMBL7955235

SCHEMBL7955235

CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCCCn3ccnc3)cnc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.75
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
QPCT Q16769 1/20 0.46
USP2 O75604 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
PDE4B Q07343 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7961785 0.87 PDE5A (0.94) PDE5APDE4B
SCHEMBL7956827 0.87 PDE5A (0.87) PDE5APDE4B
SCHEMBL7959070 0.87 PDE5A (0.98) PDE5APDE4B
SCHEMBL7962059 0.86 PDE5A (1.00) PDE5APDE4B
SCHEMBL7947681 0.86 PDE5A (0.88) PDE5APDE4B
SCHEMBL7955490 0.86 PDE5A (0.90) PDE5APDE4B
SCHEMBL7954877 0.85 PDE5A (0.87) PDE5APDE4B
SCHEMBL7948041 0.85 PDE5A (0.77) PDE5ACYP2D6CYP2C9PDE4B
SCHEMBL7961483 0.85 PDE5A (0.81) PDE5APDE4B
SCHEMBL7005158 0.84 PDE5A (1.00) PDE5APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US claimed