SCHEMBL8266558

SCHEMBL8266558

C=C(C)C(=O)Oc1ccc(CCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 0.43
PDE4B Q07343 5/20 0.43
PDE4A P27815 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
KMT2A Q03164 2/20 0.42
HRH3 Q9Y5N1 3/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL4891261 0.86 MAPT (0.45) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL5631447 0.81 LMNA (0.57) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL4882997 0.81 LMNA (0.44) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL14227050 0.78 MAPT (0.45) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL4890940 0.78 MAPT (0.46) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL14198717 0.78 MAPT (0.46) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8348132 0.77 LMNA (0.49) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL4881191 0.77 ADRB1 (0.49) MAPTLMNANPY1RNPY2RPDE4D
SCHEMBL4888905 0.77 PDE3B (0.52) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL4890674 0.77 PDE3B (0.45) MAPTLMNANPY1RNPY2RPDE3B

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-2006060127-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed