SCHEMBL7958477

SCHEMBL7958477

CCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)N3CCC(C)CC3)cnc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.58
PDE5A O76074 1/20 0.47

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
SCHEMBL7958481 1.00 PDE4B (0.58) PDE4BPDE5A
SCHEMBL7961806 0.94 PDE4B (0.66) PDE4BPDE5A
SCHEMBL7961802 0.94 PDE4B (0.66) PDE4BPDE5A
SCHEMBL7955482 0.93 PDE4B (0.58) PDE4BPDE5A
SCHEMBL7955478 0.93 PDE4B (0.58) PDE4BPDE5A
SCHEMBL7967215 0.91 PDE4B (0.61) PDE4BPDE5A
SCHEMBL7967210 0.91 PDE4B (0.61) PDE4BPDE5A
SCHEMBL7957429 0.90 PDE4B (0.56) PDE4BPDE5A
SCHEMBL7957430 0.90 PDE4B (0.56) PDE4BPDE5A
SCHEMBL7958819 0.90 PDE4B (0.57) 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