SCHEMBL5276757

SCHEMBL5276757

CC1CN(c2ccc3c(c2)OC(F)(F)O3)CCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ACACB O00763 2/20 0.43
KHK P50053 2/20 0.43
MCHR1 Q99705 2/20 0.42
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
HTR2C P28335 1/20 0.39
BCL2A1 Q16548 2/20 0.39
GRM2 Q14416 1/20 0.38
CYP17A1 P05093 1/20 0.37
CHEK1 O14757 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GHSR Q92847 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
SCHEMBL2249128 1.00 MAPT (0.46) MAPTACACBKHKMCHR1CHRM2
SCHEMBL14922242 0.80 ADRB1 (0.47) MAPTHTR2CALDH1A1
SCHEMBL2248371 0.79 MAPT (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL5271800 0.79 MAPT (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL29671585 0.75 S100B (0.43) MAPTACACBMCHR1CHRM2CHRM1
SCHEMBL14922288 0.74 KDM4E (0.49) MAPTACACBALDH1A1
SCHEMBL20159005 0.74 MAPT (0.49) MAPTACACBKHKHTR2CBCL2A1
SCHEMBL8110875 0.74 MAPT (0.49) MAPTACACBKHKHTR2CBCL2A1
SCHEMBL8271862 0.73 CHEK1 (0.46) MAPTACACBKHKBCL2A1CHEK1
SCHEMBL2252356 0.73 CHEK1 (0.46) MAPTACACBKHKBCL2A1CHEK1

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-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed