SCHEMBL4957412

SCHEMBL4957412

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
PKM P14618 1/20 0.44
GRIN2B Q13224 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
SPR P35270 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4958259 0.95 FAAH (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958536 0.94 FAAH (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4959460 0.93 MEN1 (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958808 0.92 SMN1; SMN2 (0.43) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958347 0.91 CCR3 (0.42) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4959675 0.90 FAAH (0.39) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4963114 0.88 TACR1 (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4957261 0.88 PRMT5 (0.49) FAAHCYP2C9CYP2C19MAPK14PRMT5
SCHEMBL4958443 0.87 POLB (0.39) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958190 0.86 MGLL (0.42) CYP2C19MEN1KMT2ARAB9AALDH1A1

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