SCHEMBL4959847

SCHEMBL4959847

O=C(OCC(c1ccc(Cl)cc1Cl)n1ncnn1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.39
CHRM2 P08172 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FAAH O00519 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
SPR P35270 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL4962072 0.94 CCR3 (0.40) CCR3CHRM2SLC6A2SLC6A4SLC6A3
SCHEMBL4958347 0.91 CCR3 (0.42) CCR3SLC6A2SLC6A4SLC6A3FAAH
SCHEMBL4959447 0.88 SLC6A2 (0.46) CCR3SLC6A2SLC6A4SLC6A3FPR2
SCHEMBL4959938 0.86 CCR3 (0.42) CCR3SLC6A2SLC6A4SLC6A3SPR
SCHEMBL4958259 0.85 FAAH (0.41) CCR3CHRM2FAAHSPRPRMT5
SCHEMBL4957412 0.82 FAAH (0.47) FAAHSPRPRMT5WDR77
SCHEMBL4959477 0.81 SPR (0.47) FAAHSPRPRMT5WDR77
SCHEMBL15300389 0.81 CCR3 (0.37) CCR3CHRM2
SCHEMBL4959460 0.81 MEN1 (0.41) CCR3FAAHPRMT5WDR77
SCHEMBL4959675 0.81 FAAH (0.39) CCR3CHRM2FAAHSPRPRMT5

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-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed