SCHEMBL5202712

SCHEMBL5202712

NC(=O)C1(c2ccc(Cl)c(Cl)c2)OCCO1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.45
SLC6A2 P23975 12/20 0.45
SLC6A3 Q01959 11/20 0.45
NPSR1 Q6W5P4 1/20 0.43
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
CCR2 P41597 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
SCHEMBL5234394 0.77 SLC6A3 (0.38) SLC6A4SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL5230381 0.74 HSD11B1 (0.40)
SCHEMBL11106003 0.71 LMNA (0.53) SLC6A4SLC6A2SLC6A3CCR2
SCHEMBL8242396 0.71 LMNA (0.56) SLC6A4SLC6A2SLC6A3CCR2
SCHEMBL3140331 0.70 PARP10 (0.46)
SCHEMBL5202717 0.69 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL17414156 0.69 CCR2 (0.42) SLC6A4SLC6A2SLC6A3NPSR1CHRNA1
SCHEMBL6973280 0.68 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL2738480 0.68 SLC6A2 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL13365220 0.67 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CCR2

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