SCHEMBL7955535

SCHEMBL7955535

CCn1ncc2c(NCc3ccc(F)cc3)c(C(=O)NCc3ccncc3)cnc21

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.72
PDE4B Q07343 6/20 0.69
NR3C1 P04150 6/20 0.58
CCR1 P32246 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
PGR P06401 1/20 0.45
ADORA1 P30542 1/20 0.43

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
SCHEMBL7947675 0.87 PDE5A (0.82) PDE5APDE4BNR3C1
SCHEMBL7005158 0.84 PDE5A (1.00) PDE5APDE4BNR3C1
SCHEMBL7948031 0.83 PDE5A (0.82) PDE5APDE4BNR3C1PGRADORA1
SCHEMBL4809814 0.83 PDE4B (0.58) PDE5APDE4BNR3C1PGR
SCHEMBL7955219 0.83 PDE5A (0.66) PDE5APDE4BNR3C1
SCHEMBL7947832 0.81 PDE5A (0.60) PDE5APDE4BNR3C1PGR
SCHEMBL4338651 0.81 NR3C1 (0.82) PDE5APDE4BNR3C1PGR
SCHEMBL4339596 0.81 PDE4B (0.70) PDE4BNR3C1
SCHEMBL4339585 0.80 PDE4B (0.72) PDE5APDE4BNR3C1
SCHEMBL7947698 0.80 PDE5A (0.60) PDE5APDE4BNR3C1

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