SCHEMBL4958347

SCHEMBL4958347

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.42
FAAH O00519 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
GRIN2B Q13224 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36

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 0.92 CCR3 (0.40) CCR3FAAHPRMT5WDR77SLC6A2
SCHEMBL4958259 0.91 FAAH (0.41) CCR3FAAHPRMT5WDR77CYP2C9
SCHEMBL4957412 0.91 FAAH (0.47) FAAHPRMT5WDR77CYP2C9CYP2C19
SCHEMBL4959847 0.91 CCR3 (0.39) CCR3FAAHPRMT5WDR77SLC6A2
SCHEMBL4959938 0.91 CCR3 (0.42) CCR3PRMT5WDR77CYP2C9CYP2C19
SCHEMBL4959460 0.90 MEN1 (0.41) CCR3FAAHPRMT5WDR77CYP2C9
SCHEMBL4958536 0.89 FAAH (0.41) FAAHPRMT5WDR77CYP2C9CYP2C19
SCHEMBL4959447 0.89 SLC6A2 (0.46) CCR3PRMT5WDR77GRIN2BSLC6A2
SCHEMBL4958808 0.88 SMN1; SMN2 (0.43) CCR3FAAHPRMT5WDR77CYP2C9
SCHEMBL4963114 0.87 TACR1 (0.41) FAAHPRMT5WDR77CYP2C9CYP2C19

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