SCHEMBL21995428

SCHEMBL21995428

[CH2]C(F)(F)c1ccc(C2CCOCC2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.34
PRKAG1 P54619 3/20 0.34
PRKAA2 P54646 3/20 0.34
PRKAA1 Q13131 3/20 0.34
PRKAG3 Q9UGI9 3/20 0.34
PRKAG2 Q9UGJ0 3/20 0.34
PRKAB1 Q9Y478 3/20 0.34
SERPINE1 P05121 1/20 0.33
PDE2A O00408 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
HTR1D P28221 1/20 0.33
KCNH2 Q12809 2/20 0.32
CYP2D6 P10635 1/20 0.32
OPRL1 P41146 3/20 0.32
SYK P43405 1/20 0.31
SOS1 Q07889 1/20 0.31
MGLL Q99685 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL21995465 0.89 PDE2A (0.38) PDE2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL21995407 0.84 RORC (0.32) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5216028 0.72 QDPR (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5584686 0.69 HTR2C (0.56) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5584684 0.69 NOTUM (0.40) PDE2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13002319 0.69 NOTUM (0.35) PDE2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL21995301 0.68 TSHR (0.60) CYP3A4TSHRMAPK1TDP1
SCHEMBL12556961 0.68 PDE2A (0.42) PDE2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL25247362 0.67 HTR3A (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23605496 0.67 QDPR (0.50) SLC6A2SLC6A4SLC6A3HTR1DKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO disclosed