SCHEMBL4958443

SCHEMBL4958443

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCC(Cn2ncnn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN2B Q13224 6/20 0.33
FAAH O00519 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM4 P08173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL4958786 0.90 POLB (0.37) POLBNPC1PRMT5WDR77ALDH1A1
SCHEMBL4959925 0.89 ENPP2 (0.43) USP2CHRM2CHRM5CHRM3
SCHEMBL4957412 0.87 FAAH (0.47) SMN1; SMN2RAB9AGRIN2BFAAHPRMT5
SCHEMBL4958259 0.86 FAAH (0.41) CHRM2GRIN2BFAAHPRMT5WDR77
SCHEMBL4958536 0.85 FAAH (0.41) RAB9AGRIN2BFAAHPRMT5WDR77
SCHEMBL4958190 0.84 MGLL (0.42) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL4958347 0.84 CCR3 (0.42) GRIN2BFAAHPRMT5WDR77CYP2C19
SCHEMBL4959460 0.84 MEN1 (0.41) POLBGRIN2BFAAHPRMT5WDR77
SCHEMBL4959706 0.83 MGLL (0.46) FAAH
SCHEMBL4958808 0.83 SMN1; SMN2 (0.43) POLBSMN1; SMN2RAB9AGRIN2BFAAH

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