SCHEMBL11264454

SCHEMBL11264454

CCOC(=O)C1(c2cccs2)CC(CC)=NNC1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ADORA2B P29275 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC22A1 O15245 1/20 0.34
CYP2D6 P10635 2/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4021580 0.77 SLC6A2 (0.43) SLC6A2SLC6A4PKMALDH1A1ADORA2B
SCHEMBL8189527 0.74 LMNA (0.41) SLC6A2SLC6A4PKMALDH1A1KDM4E
SCHEMBL244317 0.69 OPRM1 (0.43) SLC6A4PKMALDH1A1ADORA2BKMT2A
SCHEMBL8700636 0.69 PKM (0.42) SLC6A2SLC6A4PKMALDH1A1ADORA2B
SCHEMBL7421543 0.68 OPRM1 (0.47) SLC6A4LMNAHSD17B10SLC22A1SMN1; SMN2
SCHEMBL1428238 0.67 OPRM1 (0.44) SLC6A4ALDH1A1KDM4ELMNASLC22A1
SCHEMBL7415776 0.67 CHRM3 (0.51) SLC6A2SLC6A4LMNATSHRSLC22A1
SCHEMBL1428246 0.66 CHRM3 (0.53) SLC6A2SLC6A4LMNATSHRSLC22A1
SCHEMBL7414392 0.66 CHRM3 (0.53) SLC6A2SLC6A4LMNATSHRSLC22A1
SCHEMBL29513187 0.65 ALDH1A1 (0.37) SLC6A2SLC6A4PKMALDH1A1ADORA2B

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