SCHEMBL7961874

SCHEMBL7961874

CCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCc3ccc(OC)cc3OC)cnc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.49
PDE4B Q07343 8/20 0.47
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
PDE4D Q08499 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL7961881 1.00 PDE5A (0.49) PDE5APDE4BNR3C1PGRFLT3
SCHEMBL4341467 0.89 PDE4B (0.59) PDE5APDE4BPDE4D
SCHEMBL7957252 0.85 PDE5A (0.52) PDE5APDE4BNR3C1PDE4D
SCHEMBL7957254 0.85 PDE5A (0.52) PDE5APDE4BNR3C1PDE4D
SCHEMBL7948060 0.85 PDE5A (0.55) PDE5APDE4BNR3C1PDE4D
SCHEMBL7957220 0.85 PDE5A (0.55) PDE5APDE4BNR3C1PDE4D
SCHEMBL7948055 0.85 PDE5A (0.55) PDE5APDE4BNR3C1PDE4D
SCHEMBL7955464 0.84 L3MBTL1 (0.49) PDE5APDE4BPDE4D
SCHEMBL7955469 0.84 L3MBTL1 (0.49) PDE5APDE4BPDE4D
SCHEMBL4339964 0.83 PDE4B (0.68) PDE5APDE4BFLT3TYRO3MERTK

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