SCHEMBL11337673

SCHEMBL11337673

CCOC(=O)OC1=C(C)NN=C(CC)C1c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 3/20 0.44
CACNA1D Q01668 3/20 0.44
CACNA1S Q13698 3/20 0.44
CACNA1C Q13936 3/20 0.44
CACNA1B Q00975 11/20 0.42
ACHE P22303 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ABCC1 P33527 1/20 0.39
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL11322719 0.86 ABCC1 (0.53) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL11329664 0.86 ADORA3 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL11005887 0.85 CACNA1B (0.49) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL11262288 0.84 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL11331965 0.84 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11350210 0.84 CACNA1C (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11258917 0.82 CACNA1B (0.47) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL11338038 0.82 TSHR (0.45) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11267599 0.81 CCR1 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL11330289 0.80 CACNA1B (0.35) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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
EP-0001108-B1 1,4-DIHYDROPYRIDAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICALS BAYER AG (DE) 1981-04-29 EP disclosed