SCHEMBL11259253

SCHEMBL11259253

COC(=O)C1=C(C)NN=C(c2cccc(Cl)c2)C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
ADORA3 P0DMS8 1/20 0.46
POLB P06746 1/20 0.43
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
CACNA1B Q00975 5/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A2 P23975 1/20 0.40
PLA2G2A P14555 1/20 0.39
IDE P14735 1/20 0.39

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
SCHEMBL11254571 0.94 CACNA1B (0.47) SLC6A3ADORA3POLBCACNA1FCACNA1D
SCHEMBL11256475 0.94 SLC6A3 (0.47) SLC6A3POLBCACNA1BLMNAMEN1
SCHEMBL11266291 0.91 ADORA3 (0.53) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL11337775 0.84 NPSR1 (0.38) SLC6A3POLBCACNA1BLMNAMEN1
SCHEMBL11270365 0.81 KDM4E (0.50) SLC6A3ADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL11256300 0.79 KDM4E (0.48) CACNA1BMEN1KMT2AALDH1A1MAPT
SCHEMBL11257667 0.79 ADORA3 (0.57) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11262343 0.79 CACNA1B (0.51) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL11332331 0.78 SLC6A3 (0.38) SLC6A3CACNA1BLMNAMEN1KMT2A
SCHEMBL11343075 0.78 CACNA1B (0.41) CACNA1BLMNANPSR1

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
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed
US-4348395-A 1,4-Dihydropyridazine compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed