SCHEMBL4957261

SCHEMBL4957261

O=C(OCC(c1ccccc1)n1ncnn1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
GRIN2B Q13224 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FAAH O00519 2/20 0.42
MGLL Q99685 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4959938 0.89 CCR3 (0.42) PRMT5WDR77GRIN2BCYP2C9CYP2C19
SCHEMBL4957412 0.88 FAAH (0.47) PRMT5WDR77GRIN2BL3MBTL1RAB9A
SCHEMBL4958259 0.82 FAAH (0.41) PRMT5WDR77GRIN2BCYP2C9CYP2C19
SCHEMBL4958536 0.82 FAAH (0.41) PRMT5WDR77GRIN2BL3MBTL1RAB9A
SCHEMBL4959447 0.81 SLC6A2 (0.46) PRMT5WDR77GRIN2B
SCHEMBL4959460 0.81 MEN1 (0.41) PRMT5WDR77GRIN2BCYP2C9CYP2C19
SCHEMBL4958808 0.80 SMN1; SMN2 (0.43) PRMT5WDR77GRIN2BRAB9ACYP2C9
SCHEMBL4958347 0.79 CCR3 (0.42) PRMT5WDR77GRIN2BCYP2C9CYP2C19
SCHEMBL4959675 0.77 FAAH (0.39) PRMT5WDR77RAB9ACYP2C9CYP2C19
SCHEMBL4961290 0.77 SLC6A2 (0.44) GRIN2BFAAH

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