SCHEMBL7955464

SCHEMBL7955464

CCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCCc3ccc(OC)cc3)cnc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PDE4B Q07343 6/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PDE4D Q08499 6/20 0.48
PDE5A O76074 3/20 0.48
ADORA1 P30542 2/20 0.47
IRAK4 Q9NWZ3 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
SCHEMBL7955469 1.00 L3MBTL1 (0.49) L3MBTL1PDE4BCTSLCTSSCTSK
SCHEMBL7959060 0.90 PDE5A (0.53) PDE4BPDE4DPDE5A
SCHEMBL7959058 0.90 PDE5A (0.53) PDE4BPDE4DPDE5A
SCHEMBL4336252 0.89 PDE4B (0.61) PDE4BCTSLCTSSCTSKPDE4D
SCHEMBL7957271 0.88 IRAK4 (0.48) PDE4BPDE4DIRAK4
SCHEMBL7957275 0.88 IRAK4 (0.48) PDE4BPDE4DIRAK4
SCHEMBL7956837 0.86 PDE4D (0.48) PDE4BPDE4DPDE5A
SCHEMBL7956844 0.86 PDE4D (0.48) PDE4BPDE4DPDE5A
SCHEMBL7956928 0.86 PDE4B (0.50) PDE4BPDE4DPDE5AIRAK4
SCHEMBL7956937 0.86 PDE4B (0.50) PDE4BPDE4DPDE5AIRAK4

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