SCHEMBL4959477

SCHEMBL4959477

O=C(OCC(c1ccc(Cl)cc1Cl)n1ncnn1)N1CCC(CCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.47
FAAH O00519 2/20 0.39
GRIN2B Q13224 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CHRM4 P08173 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
ENPP2 Q13822 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL4961290 0.86 SLC6A2 (0.44) SPRFAAHGRIN2BCHRM4ENPP2
SCHEMBL4959675 0.82 FAAH (0.39) SPRFAAHMEN1KMT2APRMT5
SCHEMBL4959847 0.81 CCR3 (0.39) SPRFAAHPRMT5WDR77
SCHEMBL4310234 0.81 SPR (0.47) SPRFAAHMEN1KMT2ACNR1
SCHEMBL4957412 0.80 FAAH (0.47) SPRFAAHGRIN2BMEN1KMT2A
SCHEMBL4958259 0.78 FAAH (0.41) SPRFAAHGRIN2BMEN1KMT2A
SCHEMBL4958229 0.77 PRMT5 (0.41) PRMT5WDR77
SCHEMBL4958443 0.76 POLB (0.39) FAAHGRIN2BCHRM4PRMT5WDR77
SCHEMBL4312902 0.76 SPR (0.45) SPRFAAHGRIN2BMEN1KMT2A
SCHEMBL4958786 0.76 POLB (0.37) KMT2ACNR1CNR2PRMT5WDR77

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