SCHEMBL22071807

SCHEMBL22071807

CCSc1nc2c(cnn2C2CCC(F)(F)CC2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 19/20 0.56
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL22072396 0.90 LMNA (0.57) PDE9ALMNAESR1L3MBTL1
SCHEMBL22072398 0.86 PDE9A (0.61) PDE9ALMNAESR1L3MBTL1
SCHEMBL22071796 0.86 PDE9A (0.53) PDE9A
SCHEMBL22072365 0.86 PDE9A (0.57) PDE9AL3MBTL1
SCHEMBL22072389 0.85 CYP1A2 (0.58) PDE9A
SCHEMBL22071810 0.84 LMNA (0.52) PDE9ALMNAESR1L3MBTL1
SCHEMBL6338713 0.83 PDE9A (0.59) PDE9A
SCHEMBL22072283 0.83 PDE9A (0.53) PDE9A
SCHEMBL22072361 0.83 PDE9A (0.55) PDE9A
SCHEMBL23918358 0.83 PDE9A (0.67) PDE9A

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
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed