SCHEMBL7961895

SCHEMBL7961895

CCOC(=O)N1CCN(C(=O)c2cnc3c(cnn3CC)c2NC(C)C2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.61
PDE5A O76074 2/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 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
SCHEMBL7961892 1.00 PDE4B (0.61) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL7961802 0.91 PDE4B (0.66) PDE4BPDE5A
SCHEMBL7961806 0.91 PDE4B (0.66) PDE4BPDE5A
SCHEMBL7967215 0.90 PDE4B (0.61) PDE4BPDE5A
SCHEMBL7967210 0.90 PDE4B (0.61) PDE4BPDE5A
SCHEMBL7959099 0.89 PDE4B (0.56) PDE4BPDE5AMEN1KMT2A
SCHEMBL7957600 0.89 PDE4B (0.56) PDE4BPDE5AMEN1KMT2A
SCHEMBL7957602 0.89 PDE4B (0.56) PDE4BPDE5AMEN1KMT2A
SCHEMBL7958477 0.89 PDE4B (0.58) PDE4BPDE5A
SCHEMBL7955482 0.89 PDE4B (0.58) PDE4BPDE5A

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