SCHEMBL14720779

SCHEMBL14720779

CC(C)(C)N1CCC(=Cc2ccc(S(=O)(=O)C3CCOCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.34
MEN1 O00255 2/20 0.33
NAMPT P43490 4/20 0.33
GCK P35557 1/20 0.33
PIK3CA P42336 3/20 0.32
AKT1 P31749 1/20 0.32
MTOR P42345 1/20 0.32
TXNRD1 Q16881 1/20 0.32
SRD5A2 P31213 1/20 0.32
OGA O60502 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL14723487 0.82 GPR119 (0.45) NAMPTPIK3CAAKT1MTORSMN1; SMN2
SCHEMBL14720486 0.81 NAMPT (0.38) MEN1NAMPTSRD5A2ALDH1A1KMT2A
SCHEMBL14720851 0.79 HTR2C (0.39) DDIT3MEN1NAMPTGCKTXNRD1
SCHEMBL14720435 0.69 MCHR1 (0.37) SRD5A2MAPTKMT2A
SCHEMBL17713023 0.68 GRIN2D (0.44) SRD5A2OGAALDH1A1MAPTHTT
SCHEMBL5319901 0.68 MMP13 (0.45) DDIT3TXNRD1ALDH1A1MAPT
SCHEMBL17008693 0.68 HTR2A (0.50)
SCHEMBL6120462 0.68 HTR2A (0.40) MEN1ALDH1A1KMT2A
SCHEMBL15232568 0.68 HTR2A (0.40) ALDH1A1HTT
SCHEMBL15689389 0.67 CHRNA7 (0.44) OGAALDH1A1MAPTKMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed