SCHEMBL7955209

SCHEMBL7955209

CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCc3cccnc3)cnc21

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.84
NR3C1 P04150 3/20 0.53
PDE4B Q07343 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
PDE10A Q9Y233 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7955490 0.93 PDE5A (0.90) PDE5ANR3C1PDE4B
SCHEMBL12551683 0.92 PDE5A (0.86) PDE5ANR3C1PDE4B
SCHEMBL7005158 0.91 PDE5A (1.00) PDE5ANR3C1PDE4B
SCHEMBL7956986 0.88 PDE5A (0.82) PDE5ANR3C1PDE4B
SCHEMBL7947785 0.88 PDE5A (0.79) PDE5A
SCHEMBL7096587 0.87 PDE5A (0.83) PDE5ANR3C1PDE4B
SCHEMBL7947974 0.86 PDE5A (0.81) PDE5ANR3C1PDE4B
SCHEMBL7947681 0.86 PDE5A (0.88) PDE5ANR3C1PDE4B
SCHEMBL7958851 0.86 PDE5A (0.81) PDE5ANR3C1PDE4B
SCHEMBL7954877 0.86 PDE5A (0.87) PDE5ANR3C1PDE4B

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