SCHEMBL9023097

SCHEMBL9023097

NC1(O)CCCC1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL7774188 0.79 TRPA1 (0.49)
SCHEMBL17350953 0.76 SLC18A2 (0.44) SLC18A2
SCHEMBL4862038 0.75 TAAR1 (0.40)
SCHEMBL28308626 0.73 MAOA (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL11457409 0.71 ARG1 (0.34)
SCHEMBL9752704 0.71 MAPT (0.42)
SCHEMBL17785261 0.70 SLC18A2 (0.34) SLC18A2
SCHEMBL29789748 0.70 NPC1 (0.39) SLC18A2
SCHEMBL9752857 0.70 LMNA (0.50)
SCHEMBL4558511 0.70 MEN1 (0.40) SLC6A2SLC6A4SLC6A3

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-0452074-B1 Ergoline-8-carboxamides for blocking 5HT receptors LILLY CO ELI (US) 1996-01-24 EP disclosed