SCHEMBL7958253

SCHEMBL7958253

CCn1ncc2c(C(=O)O)c(C(=O)O)cnc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
PDE5A O76074 2/20 0.47
NR3C1 P04150 5/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
PGR P06401 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
SCHEMBL14115711 0.85 PDE4B (0.52) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL7009102 0.85 PDE4B (0.49) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL582299 0.84 NR3C1 (0.61) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL8285844 0.84 PDE4B (0.48) PDE4B
Hydrochloric Acid SCHEMBL7008243 0.82 NR3C1 (0.60) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL9836656 0.81 PDE4B (0.53) PDE4BPDE5ANR3C1MEN1MAPT
Hydrochloric Acid SCHEMBL11746149 0.80 PDE4B (0.52) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL7971243 0.80 PDE4B (0.46) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL11396345 0.80 PDE5A (0.54) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL11602092 0.78 PDE4B (0.56) PDE4BPDE5ANR3C1MEN1MAPT

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-6316438-B1 Fused pyridopyridazine inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB CO. 2001-11-13 US disclosed