SCHEMBL5202717

SCHEMBL5202717

NCC1(c2ccc(Cl)c(Cl)c2)OCCO1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.53
SLC6A3 Q01959 16/20 0.53
SLC6A2 P23975 6/20 0.51

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
SCHEMBL11545222 0.82 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL5234404 0.75 SLC6A3 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL29839208 0.72 SLC6A3 (0.86) SLC6A4SLC6A3SLC6A2
SCHEMBL1608747 0.72 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL26921164 0.72 SLC6A3 (0.86) SLC6A4SLC6A3SLC6A2
SCHEMBL2066637 0.71 MAOB (0.48)
SCHEMBL11545358 0.70 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL9996100 0.70 HMOX1 (0.43)
SCHEMBL31332825 0.70 HTR2C (0.45) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6629526 0.69 MAOB (0.47)

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-1819672-A1 INDOLE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006056815-A1 INDOLE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-01 WO disclosed