SCHEMBL7947714

SCHEMBL7947714

CCC(Nc1c(C(=O)NCc2ccncc2)cnc2c1cnn2CC)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.58
NR3C1 P04150 7/20 0.54
PDE4B Q07343 10/20 0.52
PGR P06401 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
SCHEMBL7955223 0.82 PDE5A (0.61) PDE5ANR3C1PDE4BPGR
SCHEMBL7947992 0.81 PDE4B (0.57) PDE5ANR3C1PDE4B
SCHEMBL7961851 0.81 PDE4B (0.57) PDE5ANR3C1PDE4B
SCHEMBL7947996 0.81 PDE4B (0.57) PDE5ANR3C1PDE4B
SCHEMBL7947692 0.80 PDE4B (0.59) PDE5ANR3C1PDE4BPGR
SCHEMBL7955535 0.80 PDE5A (0.72) PDE5ANR3C1PDE4BPGR
SCHEMBL7947832 0.80 PDE5A (0.60) PDE5ANR3C1PDE4BPGR
SCHEMBL4338651 0.80 NR3C1 (0.82) PDE5ANR3C1PDE4BPGR
SCHEMBL4339585 0.79 PDE4B (0.72) PDE5ANR3C1PDE4B
SCHEMBL4335267 0.78 PDE4B (0.71) 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 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 disclosed